5-chloro-N-(2-nitrophenyl)pentanamide

C11H13ClN2O3 — CID 43699352

IUPAC5-chloro-N-(2-nitrophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c12-8-4-3-7-11(15)13-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,13,15)
InChIKeyVPSCHUWMOFECCE-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.94
Rot. Bonds6

About 5-chloro-N-(2-nitrophenyl)pentanamide

5-chloro-N-(2-nitrophenyl)pentanamide (PubChem CID 43699352) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-N-(2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-nitrophenyl)pentanamide
PubChem CID43699352
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-chloro-N-(2-nitrophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c12-8-4-3-7-11(15)13-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,13,15)
InChIKeyVPSCHUWMOFECCE-UHFFFAOYSA-N
XLogP2.94
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-nitrophenyl)pentanamide 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

3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
CID 107679551
N,N'-bis[2-(2-nitrophenyl)sulfanylphenyl]pentanediamide
CID 10603457
N-benzyl-N'-(2-nitrophenyl)butanediamide
CID 4619061
N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
CID 71521457
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
N-[3-(2-nitroanilino)-3-oxopropyl]benzamide
CID 62707198
5-chloro-N-(6-nitro-1,3-benzodioxol-5-yl)pentanamide
CID 43697753
2-bromoacetyl bromide;2-bromo-N-(2-nitrophenyl)acetamide
CID 158137216
2-(7-chloroheptanoylamino)benzamide
CID 139930503
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-nitrophenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-nitrophenyl)pentanamide (CID 43699352) is 5-chloro-N-(2-nitrophenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-nitrophenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-nitrophenyl)pentanamide is O=C(CCCCCl)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2-nitrophenyl)pentanamide?
The InChIKey is VPSCHUWMOFECCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-8-4-3-7-11(15)13-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,13,15).
What are the key properties of 5-chloro-N-(2-nitrophenyl)pentanamide?
5-chloro-N-(2-nitrophenyl)pentanamide has a molecular weight of 256.69 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-nitrophenyl)pentanamide is sourced from PubChem (CID 43699352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).