N-(2-benzoylphenyl)-3-chloropropanamide

C16H14ClNO2 — CID 25323415

IUPACN-(2-benzoylphenyl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-11-10-15(19)18-14-9-5-4-8-13(14)16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyMZUFWESEQHBZSM-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.48
Rot. Bonds5

About N-(2-benzoylphenyl)-3-chloropropanamide

N-(2-benzoylphenyl)-3-chloropropanamide (PubChem CID 25323415) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-3-chloropropanamide
PubChem CID25323415
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-(2-benzoylphenyl)-3-chloropropanamide
SMILESO=C(CCCl)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-11-10-15(19)18-14-9-5-4-8-13(14)16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)
InChIKeyMZUFWESEQHBZSM-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
1-(2-benzoylphenyl)-3-chloropropan-1-one
CID 172792049
2-(3-chloropropanoylamino)-N-(1-phenylethyl)benzamide
CID 4157890
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 166070237
2-(2-aminoethylsulfanyl)-N-(2-benzoylphenyl)acetamide
CID 134064897
N-(2-benzoylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880676
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-3-chloropropanamide?
The IUPAC name of N-(2-benzoylphenyl)-3-chloropropanamide (CID 25323415) is N-(2-benzoylphenyl)-3-chloropropanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-3-chloropropanamide?
The canonical SMILES for N-(2-benzoylphenyl)-3-chloropropanamide is O=C(CCCl)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-3-chloropropanamide?
The InChIKey is MZUFWESEQHBZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-11-10-15(19)18-14-9-5-4-8-13(14)16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19).
What are the key properties of N-(2-benzoylphenyl)-3-chloropropanamide?
N-(2-benzoylphenyl)-3-chloropropanamide has a molecular weight of 287.75 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-3-chloropropanamide is sourced from PubChem (CID 25323415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).