N-(2-chloro-6-nitrophenyl)propanamide

C9H9ClN2O3 — CID 69018595

IUPACN-(2-chloro-6-nitrophenyl)propanamide
SMILESCCC(=O)Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c1-2-8(13)11-9-6(10)4-3-5-7(9)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyLGGATXSKBLNSEZ-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.60
Rot. Bonds3

About N-(2-chloro-6-nitrophenyl)propanamide

N-(2-chloro-6-nitrophenyl)propanamide (PubChem CID 69018595) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is N-(2-chloro-6-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-6-nitrophenyl)propanamide
PubChem CID69018595
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC NameN-(2-chloro-6-nitrophenyl)propanamide
SMILESCCC(=O)Nc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H9ClN2O3/c1-2-8(13)11-9-6(10)4-3-5-7(9)12(14)15/h3-5H,2H2,1H3,(H,11,13)
InChIKeyLGGATXSKBLNSEZ-UHFFFAOYSA-N
XLogP2.60
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-nitrophenyl)propanamide 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

1-(2-chloro-6-nitrophenyl)propan-1-one
CID 131073347
tert-butyl N-(2-chloro-6-nitrophenyl)carbamate
CID 53438218
ethyl 2-(2-chloro-6-nitroanilino)acetate
CID 62083715
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
1-(2-chloro-6-nitroanilino)propan-2-ol
CID 62085143
2-(2-chloro-6-nitroanilino)-N-propylpropanamide
CID 62085502
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
2-chloro-6-nitro-N-octylaniline
CID 115569026
2-chloro-6-nitro-N-pent-1-yn-3-ylaniline
CID 106231232
ethyl 4-(2-chloro-6-nitroanilino)butanoate
CID 64578751
N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
2-N-(2-chloro-6-nitrophenyl)-2-ethylbutane-1,2-diamine
CID 114062753

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-nitrophenyl)propanamide?
The IUPAC name of N-(2-chloro-6-nitrophenyl)propanamide (CID 69018595) is N-(2-chloro-6-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-chloro-6-nitrophenyl)propanamide?
The canonical SMILES for N-(2-chloro-6-nitrophenyl)propanamide is CCC(=O)Nc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-chloro-6-nitrophenyl)propanamide?
The InChIKey is LGGATXSKBLNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-2-8(13)11-9-6(10)4-3-5-7(9)12(14)15/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of N-(2-chloro-6-nitrophenyl)propanamide?
N-(2-chloro-6-nitrophenyl)propanamide has a molecular weight of 228.63 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-nitrophenyl)propanamide is sourced from PubChem (CID 69018595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).