N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide

C16H14ClNO2 — CID 619799

IUPACN-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClNO2/c17-14-9-5-4-8-13(14)11-18-16(20)10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeyYUCREMDZKNMJSS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide

N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide (PubChem CID 619799) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
PubChem CID619799
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
SMILESO=C(CC(=O)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClNO2/c17-14-9-5-4-8-13(14)11-18-16(20)10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20)
InChIKeyYUCREMDZKNMJSS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(2-chlorophenyl)methyl]-N'-(2,3-dichlorophenyl)propanediamide
CID 108946674
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
(E)-2-[(2-chlorophenyl)methylamino]-1,4-diphenylbut-2-ene-1,4-dione
CID 177478148
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide (CID 619799) is N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide is O=C(CC(=O)c1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide?
The InChIKey is YUCREMDZKNMJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c17-14-9-5-4-8-13(14)11-18-16(20)10-15(19)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide?
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide has a molecular weight of 287.75 g/mol, XLogP of 3.23, 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]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 619799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).