N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide

C12H14ClN3O3 — CID 60868352

IUPACN-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-10-5-9(16(18)19)3-4-11(10)15-12(17)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17)
InChIKeyMSHGVEVUJMSVKZ-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.19
Rot. Bonds6

About N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide

N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 60868352) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID60868352
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-10-5-9(16(18)19)3-4-11(10)15-12(17)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17)
InChIKeyMSHGVEVUJMSVKZ-UHFFFAOYSA-N
XLogP2.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.19
H-Bond Donors ≤ 52
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'}

Analyze N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)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-4-nitrophenyl)-2-(methylamino)acetamide
CID 43218215
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840698
2-[(2-tert-butylcyclohexyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 56542477
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-cyclopentyl-dimethylazanium
CID 8875505
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-chloro-4-nitrophenyl)acetamide
CID 11940822
N-(2-chloro-4-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3442434
N-(2-chloro-4-nitrophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 2892723
N-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7409437

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide (CID 60868352) is N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is MSHGVEVUJMSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-10-5-9(16(18)19)3-4-11(10)15-12(17)7-14-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2,(H,15,17).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 283.71 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 60868352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).