N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide

C17H16ClN3O4 — CID 18870864

IUPACN-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4/c1-20(2)10-16(22)19-15-8-7-11(21(24)25)9-13(15)17(23)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyWLSWLNZWOZIBQX-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide

N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide (PubChem CID 18870864) has the molecular formula C17H16ClN3O4 and a molecular weight of 361.79 g/mol. Its IUPAC name is N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
PubChem CID18870864
Molecular FormulaC17H16ClN3O4
Molecular Weight361.79 g/mol
Exact Mass361.08
IUPAC NameN-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3O4/c1-20(2)10-16(22)19-15-8-7-11(21(24)25)9-13(15)17(23)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyWLSWLNZWOZIBQX-UHFFFAOYSA-N
XLogP2.98
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-nitrophenyl)-2-(dimethylamino)acetamide
CID 11043415
2-[[2-[3-(2-chlorobenzoyl)-5-nitroanilino]-2-oxoethyl]amino]-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide;hydrochloride
CID 175674074
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[2-(2-chlorobenzoyl)-4-nitroanilino]ethyl 2,3-dimethylbutanoate
CID 130356545
2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
CID 16776660
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-2,4-dinitrobenzamide
CID 23769969
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-(2-chloro-4-nitrophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965875
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N-(2-chloro-4-nitrophenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 111336322
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide (CID 18870864) is N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide?
The InChIKey is WLSWLNZWOZIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4/c1-20(2)10-16(22)19-15-8-7-11(21(24)25)9-13(15)17(23)12-5-3-4-6-14(12)18/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide?
N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide has a molecular weight of 361.79 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 18870864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).