N-[(2-chlorophenyl)methyl]-4-oxopentanamide

C12H14ClNO2 — CID 60636911

IUPACN-[(2-chlorophenyl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-9(15)6-7-12(16)14-8-10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyFUCOGHSZUYXKMT-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-oxopentanamide

N-[(2-chlorophenyl)methyl]-4-oxopentanamide (PubChem CID 60636911) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-oxopentanamide
PubChem CID60636911
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-9(15)6-7-12(16)14-8-10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3,(H,14,16)
InChIKeyFUCOGHSZUYXKMT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(naphthalen-1-ylmethyl)-4-oxopentanamide
CID 62063999
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-oxopentanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-oxopentanamide (CID 60636911) is N-[(2-chlorophenyl)methyl]-4-oxopentanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-oxopentanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-oxopentanamide?
The InChIKey is FUCOGHSZUYXKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9(15)6-7-12(16)14-8-10-4-2-3-5-11(10)13/h2-5H,6-8H2,1H3,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-oxopentanamide?
N-[(2-chlorophenyl)methyl]-4-oxopentanamide has a molecular weight of 239.70 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-oxopentanamide is sourced from PubChem (CID 60636911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).