N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)

C120H144ClF5N12O14S — CID 158750623

About N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)

N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene) (PubChem CID 158750623) has the molecular formula C120H144ClF5N12O14S and a molecular weight of 2141.05 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene).

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)
• PubChem CID: 158750623
• Molecular Formula: C120H144ClF5N12O14S
• Molecular Weight: 2141.05 g/mol
• Exact Mass: 2139.03
• IUPAC Name: N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)
• SMILES: C.CNC(=O)c1ccc(C)cc1F.CNC(=O)c1ccc(C)nc1.CNS(=O)(=O)c1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C(=O)NC(C)C)c(F)c1.Cc1ccc(C(=O)NC2CC2)c(F)c1.Cc1ccc(C(=O)NCCO)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(NC=O)cc1Cl.Cc1ccc(NC=O)cc1F.Cc1ccc(NC=O)cn1.Cc1ccc(OC=O)cn1
• InChI: InChI=1S/C11H12FNO.C11H14FNO.C10H12FNO2.C9H10FNO.C8H8ClNO.C8H8FNO.C8H10N2O.C8H11NO2S.C8H10O.3C8H10.C7H8N2O.C7H7NO2.CH4/c1-7-2-5-9(10(12)6-7)11(14)13-8-3-4-8;1-7(2)13-11(14)9-5-4-8(3)6-10(9)12;1-7-2-3-8(9(11)6-7)10(14)12-4-5-13;1-6-3-4-7(8(10)5-6)9(12)11-2;2*1-6-2-3-7(10-5-11)4-8(6)9;1-6-3-4-7(5-10-6)8(11)9-2;1-7-3-5-8(6-4-7)12(10,11)9-2;1-7-3-5-8(9-2)6-4-7;3*1-7-3-5-8(2)6-4-7;1-6-2-3-7(4-8-6)9-5-10;1-6-2-3-7(4-8-6)10-5-9;/h2,5-6,8H,3-4H2,1H3,(H,13,14);4-7H,1-3H3,(H,13,14);2-3,6,13H,4-5H2,1H3,(H,12,14);3-5H,1-2H3,(H,11,12);2*2-5H,1H3,(H,10,11);3-5H,1-2H3,(H,9,11);3-6,9H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;1H4
• InChIKey: INKWRRZVQYQDKY-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 373.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.05
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)?

The IUPAC name of N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene) (CID 158750623) is N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene).

What is the SMILES notation for N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)?

The canonical SMILES for N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene) is C.CNC(=O)c1ccc(C)cc1F.CNC(=O)c1ccc(C)nc1.CNS(=O)(=O)c1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C(=O)NC(C)C)c(F)c1.Cc1ccc(C(=O)NC2CC2)c(F)c1.Cc1ccc(C(=O)NCCO)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(NC=O)cc1Cl.Cc1ccc(NC=O)cc1F.Cc1ccc(NC=O)cn1.Cc1ccc(OC=O)cn1.

What is the InChIKey of N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)?

The InChIKey is INKWRRZVQYQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO.C11H14FNO.C10H12FNO2.C9H10FNO.C8H8ClNO.C8H8FNO.C8H10N2O.C8H11NO2S.C8H10O.3C8H10.C7H8N2O.C7H7NO2.CH4/c1-7-2-5-9(10(12)6-7)11(14)13-8-3-4-8;1-7(2)13-11(14)9-5-4-8(3)6-10(9)12;1-7-2-3-8(9(11)6-7)10(14)12-4-5-13;1-6-3-4-7(8(10)5-6)9(12)11-2;2*1-6-2-3-7(10-5-11)4-8(6)9;1-6-3-4-7(5-10-6)8(11)9-2;1-7-3-5-8(6-4-7)12(10,11)9-2;1-7-3-5-8(9-2)6-4-7;3*1-7-3-5-8(2)6-4-7;1-6-2-3-7(4-8-6)9-5-10;1-6-2-3-7(4-8-6)10-5-9;/h2,5-6,8H,3-4H2,1H3,(H,13,14);4-7H,1-3H3,(H,13,14);2-3,6,13H,4-5H2,1H3,(H,12,14);3-5H,1-2H3,(H,11,12);2*2-5H,1H3,(H,10,11);3-5H,1-2H3,(H,9,11);3-6,9H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;1H4.

What are the key properties of N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene)?

N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene) has a molecular weight of 2141.05 g/mol, XLogP of 23.65, 20 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)formamide;N-cyclopropyl-2-fluoro-4-methylbenzamide;N,4-dimethylbenzenesulfonamide;N,6-dimethylpyridine-3-carboxamide;2-fluoro-N,4-dimethylbenzamide;2-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide;N-(3-fluoro-4-methylphenyl)formamide;2-fluoro-4-methyl-N-propan-2-ylbenzamide;methane;1-methoxy-4-methylbenzene;N-(6-methyl-3-pyridinyl)formamide;(6-methyl-3-pyridinyl) formate;tris(1,4-xylene) is sourced from PubChem (CID 158750623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).