3-(2-benzoyl-5-chlorophenyl)propanamide

C16H14ClNO2 — CID 19903203

IUPAC3-(2-benzoyl-5-chlorophenyl)propanamide
SMILESNC(=O)CCc1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-7-8-14(12(10-13)6-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,18,19)
InChIKeyOBSZNTVSKOODTI-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-benzoyl-5-chlorophenyl)propanamide

3-(2-benzoyl-5-chlorophenyl)propanamide (PubChem CID 19903203) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-(2-benzoyl-5-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-benzoyl-5-chlorophenyl)propanamide
PubChem CID19903203
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name3-(2-benzoyl-5-chlorophenyl)propanamide
SMILESNC(=O)CCc1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO2/c17-13-7-8-14(12(10-13)6-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,18,19)
InChIKeyOBSZNTVSKOODTI-UHFFFAOYSA-N
XLogP2.99
TPSA60.16 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
benzamide;2-benzoyl-5-chlorobenzenesulfonamide
CID 174396594
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine
CID 168601925
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660
2-(2-benzoylphenyl)acetyl chloride
CID 139777615
2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
CID 57078836
3-[2-(carboxymethyl)-5-chlorophenyl]propanoic acid
CID 118836350
4-(2-benzoyl-4-chlorophenoxy)butanoic acid
CID 11522599
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzoyl-5-chlorophenyl)propanamide?
The IUPAC name of 3-(2-benzoyl-5-chlorophenyl)propanamide (CID 19903203) is 3-(2-benzoyl-5-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-benzoyl-5-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-benzoyl-5-chlorophenyl)propanamide is NC(=O)CCc1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of 3-(2-benzoyl-5-chlorophenyl)propanamide?
The InChIKey is OBSZNTVSKOODTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-13-7-8-14(12(10-13)6-9-15(18)19)16(20)11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H2,18,19).
What are the key properties of 3-(2-benzoyl-5-chlorophenyl)propanamide?
3-(2-benzoyl-5-chlorophenyl)propanamide has a molecular weight of 287.75 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzoyl-5-chlorophenyl)propanamide is sourced from PubChem (CID 19903203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).