4-chloro-N-phenacylbenzamide

C15H12ClNO2 — CID 832101

IUPAC4-chloro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyBORILFJYCRQNAD-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.95
Rot. Bonds4

About 4-chloro-N-phenacylbenzamide

4-chloro-N-phenacylbenzamide (PubChem CID 832101) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-N-phenacylbenzamide.

Molecular Properties

Compound Name4-chloro-N-phenacylbenzamide
PubChem CID832101
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name4-chloro-N-phenacylbenzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H12ClNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyBORILFJYCRQNAD-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenacylbenzamide?
The IUPAC name of 4-chloro-N-phenacylbenzamide (CID 832101) is 4-chloro-N-phenacylbenzamide.
What is the SMILES notation for 4-chloro-N-phenacylbenzamide?
The canonical SMILES for 4-chloro-N-phenacylbenzamide is O=C(CNC(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-phenacylbenzamide?
The InChIKey is BORILFJYCRQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-8-6-12(7-9-13)15(19)17-10-14(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19).
What are the key properties of 4-chloro-N-phenacylbenzamide?
4-chloro-N-phenacylbenzamide has a molecular weight of 273.72 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenacylbenzamide is sourced from PubChem (CID 832101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).