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

C16H15ClN2O2 — CID 2893401

IUPAC3-chloro-N-(1-phenylethylcarbamoyl)benzamide
SMILESCC(NC(=O)NC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-11(12-6-3-2-4-7-12)18-16(21)19-15(20)13-8-5-9-14(17)10-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyNOFARLVBAARHAW-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.54
Rot. Bonds3

About 3-chloro-N-(1-phenylethylcarbamoyl)benzamide

3-chloro-N-(1-phenylethylcarbamoyl)benzamide (PubChem CID 2893401) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-chloro-N-(1-phenylethylcarbamoyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-phenylethylcarbamoyl)benzamide
PubChem CID2893401
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name3-chloro-N-(1-phenylethylcarbamoyl)benzamide
SMILESCC(NC(=O)NC(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-11(12-6-3-2-4-7-12)18-16(21)19-15(20)13-8-5-9-14(17)10-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyNOFARLVBAARHAW-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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Related Compounds

2-Chloro-N-phenethyl-benzamide
CID 692233
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
Benzamide derivative 11
CID 41306362
Benzamide derivative 8
CID 118607347
3-chloro-N-(3-methylbutyl)benzamide
CID 669768
4-Pyrimidinecarboxamide, 1,2,3,6-tetrahydro-5-((4-chlorobenzoyl)amino)-N-cyclohexyl-2,6-dioxo-
CID 361707
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527
4-Chloro-N-cyclohexylbenzamide
CID 225461
3-chloro-N-(2-methylpropyl)benzamide
CID 587374
3-chloro-N-(2-phenylethyl)benzamide
CID 835434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The IUPAC name of 3-chloro-N-(1-phenylethylcarbamoyl)benzamide (CID 2893401) is 3-chloro-N-(1-phenylethylcarbamoyl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The canonical SMILES for 3-chloro-N-(1-phenylethylcarbamoyl)benzamide is CC(NC(=O)NC(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-(1-phenylethylcarbamoyl)benzamide?
The InChIKey is NOFARLVBAARHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11(12-6-3-2-4-7-12)18-16(21)19-15(20)13-8-5-9-14(17)10-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 3-chloro-N-(1-phenylethylcarbamoyl)benzamide?
3-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 3-chloro-N-(1-phenylethylcarbamoyl)benzamide is sourced from PubChem (CID 2893401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).