N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide

C17H16ClNO2 — CID 2379578

IUPACN-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H16ClNO2/c18-15-8-6-14(7-9-15)16(20)10-11-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOUEOGUPNPJFMAC-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide

N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 2379578) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID2379578
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-benzyl-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C17H16ClNO2/c18-15-8-6-14(7-9-15)16(20)10-11-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21)
InChIKeyOUEOGUPNPJFMAC-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide (CID 2379578) is N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is OUEOGUPNPJFMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-8-6-14(7-9-15)16(20)10-11-17(21)19-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,21).
What are the key properties of N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide?
N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 301.77 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 2379578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).