N-[(4-chlorophenyl)methyl]-3-phenylbutanamide

C17H18ClNO — CID 2915274

IUPACN-[(4-chlorophenyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-13(15-5-3-2-4-6-15)11-17(20)19-12-14-7-9-16(18)10-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyIPPBKLDVKWSUJV-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-phenylbutanamide

N-[(4-chlorophenyl)methyl]-3-phenylbutanamide (PubChem CID 2915274) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-phenylbutanamide
PubChem CID2915274
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(4-chlorophenyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-13(15-5-3-2-4-6-15)11-17(20)19-12-14-7-9-16(18)10-8-14/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyIPPBKLDVKWSUJV-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-phenylbutanamide (CID 2915274) is N-[(4-chlorophenyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-phenylbutanamide is CC(CC(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-phenylbutanamide?
The InChIKey is IPPBKLDVKWSUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-13(15-5-3-2-4-6-15)11-17(20)19-12-14-7-9-16(18)10-8-14/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-phenylbutanamide?
N-[(4-chlorophenyl)methyl]-3-phenylbutanamide has a molecular weight of 287.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 2915274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).