N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide

C16H15Cl2N3O3 — CID 9251343

IUPACN-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-20(9-11-3-2-4-12(17)7-11)10-16(22)19-14-6-5-13(18)8-15(14)21(23)24/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyVXKBNWPJTSQQGK-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.97
Rot. Bonds6

About N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide

N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 9251343) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
PubChem CID9251343
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2N3O3/c1-20(9-11-3-2-4-12(17)7-11)10-16(22)19-14-6-5-13(18)8-15(14)21(23)24/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyVXKBNWPJTSQQGK-UHFFFAOYSA-N
XLogP3.97
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.97
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

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 9251378
N-(4-chloro-2-nitrophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433855
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959753
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
N-(4-chloro-2-nitrophenyl)-2-[2-hydroxypropyl(propan-2-yl)amino]acetamide
CID 111108098

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide (CID 9251343) is N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1cccc(Cl)c1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is VXKBNWPJTSQQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c1-20(9-11-3-2-4-12(17)7-11)10-16(22)19-14-6-5-13(18)8-15(14)21(23)24/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 368.22 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9251343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).