4-chloro-N-(2-propanoylphenyl)benzamide

C16H14ClNO2 — CID 4307491

IUPAC4-chloro-N-(2-propanoylphenyl)benzamide
SMILESCCC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-2-15(19)13-5-3-4-6-14(13)18-16(20)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3,(H,18,20)
InChIKeyDMYSWKNVAAEJDJ-UHFFFAOYSA-N
MW287.75 g/mol
LogP4.18
Rot. Bonds4

About 4-chloro-N-(2-propanoylphenyl)benzamide

4-chloro-N-(2-propanoylphenyl)benzamide (PubChem CID 4307491) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-(2-propanoylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-propanoylphenyl)benzamide
PubChem CID4307491
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name4-chloro-N-(2-propanoylphenyl)benzamide
SMILESCCC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-2-15(19)13-5-3-4-6-14(13)18-16(20)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3,(H,18,20)
InChIKeyDMYSWKNVAAEJDJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-propanoylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-propanoylphenyl)benzamide (CID 4307491) is 4-chloro-N-(2-propanoylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-propanoylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-propanoylphenyl)benzamide is CCC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-propanoylphenyl)benzamide?
The InChIKey is DMYSWKNVAAEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-2-15(19)13-5-3-4-6-14(13)18-16(20)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(2-propanoylphenyl)benzamide?
4-chloro-N-(2-propanoylphenyl)benzamide has a molecular weight of 287.75 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-propanoylphenyl)benzamide is sourced from PubChem (CID 4307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).