2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide

C17H18ClN3O3 — CID 9057976

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12-7-8-14(21(23)24)9-16(12)19-17(22)11-20(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyDVMFVSCKYSCYAE-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.63
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 9057976) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID9057976
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-12-7-8-14(21(23)24)9-16(12)19-17(22)11-20(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyDVMFVSCKYSCYAE-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
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

3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
N-(2-bromo-4-nitrophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 27215844
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8712213
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 17491744
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-[(2-chlorophenyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 18588915
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]acetamide
CID 126829500
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 38508977
2-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 16961179
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide (CID 9057976) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is DVMFVSCKYSCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-12-7-8-14(21(23)24)9-16(12)19-17(22)11-20(2)10-13-5-3-4-6-15(13)18/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 9057976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).