4-chloro-N-(1-phenylethylcarbamoyl)benzamide

C16H15ClN2O2 — CID 6456925

IUPAC4-chloro-N-(1-phenylethylcarbamoyl)benzamide
SMILESCC(NC(=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-11(12-5-3-2-4-6-12)18-16(21)19-15(20)13-7-9-14(17)10-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyABFYMNNRGMZHAM-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.54
Rot. Bonds3

About 4-chloro-N-(1-phenylethylcarbamoyl)benzamide

4-chloro-N-(1-phenylethylcarbamoyl)benzamide (PubChem CID 6456925) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylethylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylethylcarbamoyl)benzamide
PubChem CID6456925
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-chloro-N-(1-phenylethylcarbamoyl)benzamide
SMILESCC(NC(=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-11(12-5-3-2-4-6-12)18-16(21)19-15(20)13-7-9-14(17)10-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyABFYMNNRGMZHAM-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The IUPAC name of 4-chloro-N-(1-phenylethylcarbamoyl)benzamide (CID 6456925) is 4-chloro-N-(1-phenylethylcarbamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(1-phenylethylcarbamoyl)benzamide is CC(NC(=O)NC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The InChIKey is ABFYMNNRGMZHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11(12-5-3-2-4-6-12)18-16(21)19-15(20)13-7-9-14(17)10-8-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 4-chloro-N-(1-phenylethylcarbamoyl)benzamide?
4-chloro-N-(1-phenylethylcarbamoyl)benzamide has a molecular weight of 302.76 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylethylcarbamoyl)benzamide is sourced from PubChem (CID 6456925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).