2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide

C17H18ClN3O3 — CID 51167376

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-12(20(2)11-13-6-5-7-14(18)10-13)17(22)19-15-8-3-4-9-16(15)21(23)24/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyMHFBDZPIQBMPEA-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.71
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide (PubChem CID 51167376) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
PubChem CID51167376
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-12(20(2)11-13-6-5-7-14(18)10-13)17(22)19-15-8-3-4-9-16(15)21(23)24/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyMHFBDZPIQBMPEA-UHFFFAOYSA-N
XLogP3.71
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8516996
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515183
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
(2R)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712415
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-nitrophenyl)propanamide
CID 8712413
2-[(3-chlorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-propylpropanamide
CID 132947605
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 47145321
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100713816
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide (CID 51167376) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide is CC(C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide?
The InChIKey is MHFBDZPIQBMPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12(20(2)11-13-6-5-7-14(18)10-13)17(22)19-15-8-3-4-9-16(15)21(23)24/h3-10,12H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide has a molecular weight of 347.80 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 51167376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).