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

C15H13ClN2O3 — CID 694542

IUPAC4-chloro-2-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O3/c16-12-6-7-13(14(10-12)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyKMPOBIKOKLWVJM-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.22
Rot. Bonds5

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

4-chloro-2-nitro-N-(2-phenylethyl)benzamide (PubChem CID 694542) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-2-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-nitro-N-(2-phenylethyl)benzamide
PubChem CID694542
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-2-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O3/c16-12-6-7-13(14(10-12)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyKMPOBIKOKLWVJM-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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Related Compounds

2-amino-N-(3-chlorophenyl)benzamide
CID 720859
2-nitro-N-(2-phenylethyl)benzamide
CID 720792
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
N-tert-butyl-5-chloro-2-nitrobenzamide
CID 895967
N,N-dibutyl-5-chloro-2-nitrobenzamide
CID 1741603
4-chloro-N,N-dimethyl-2-nitrobenzamide
CID 789186
N-benzyl-2-nitrobenzamide
CID 675871
N-isopropyl-2-nitrobenzamide
CID 738244
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-nitrobenzamide
CID 14783866
N-benzyl-4-chloro-N-ethyl-2-nitrobenzamide
CID 789142

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-2-nitro-N-(2-phenylethyl)benzamide (CID 694542) is 4-chloro-2-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-2-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-2-nitro-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-2-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is KMPOBIKOKLWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-12-6-7-13(14(10-12)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-2-nitro-N-(2-phenylethyl)benzamide?
4-chloro-2-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-2-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 694542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).