2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide

C16H15ClN2O3 — CID 3706142

IUPAC2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(19(21)22)7-8-15(14)17/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyQBGNZTMXHZUPOZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide

2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 3706142) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID3706142
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O3/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(19(21)22)7-8-15(14)17/h2-8,10-11H,9H2,1H3,(H,18,20)
InChIKeyQBGNZTMXHZUPOZ-UHFFFAOYSA-N
XLogP3.61
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.61
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 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide (CID 3706142) is 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is QBGNZTMXHZUPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(19(21)22)7-8-15(14)17/h2-8,10-11H,9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide?
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 318.76 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 3706142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).