4-chloro-3-nitro-N-(2-phenylethyl)benzamide

C15H13ClN2O3 — CID 795980

IUPAC4-chloro-3-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-6-12(10-14(13)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyXOFHJGXVFIWQSS-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-3-nitro-N-(2-phenylethyl)benzamide

4-chloro-3-nitro-N-(2-phenylethyl)benzamide (PubChem CID 795980) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(2-phenylethyl)benzamide
PubChem CID795980
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H13ClN2O3/c16-13-7-6-12(10-14(13)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyXOFHJGXVFIWQSS-UHFFFAOYSA-N
XLogP3.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(2-phenylethyl)benzamide (CID 795980) is 4-chloro-3-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is XOFHJGXVFIWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-13-7-6-12(10-14(13)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19).
What are the key properties of 4-chloro-3-nitro-N-(2-phenylethyl)benzamide?
4-chloro-3-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 304.73 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 795980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).