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

C17H18ClNO — CID 885528

IUPACN-[(4-chlorophenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)13-19-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)
InChIKeyOWNOLRYIEBCRLL-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.98
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-4-phenylbutanamide (PubChem CID 885528) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-phenylbutanamide
PubChem CID885528
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)13-19-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20)
InChIKeyOWNOLRYIEBCRLL-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.98
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]-4-phenylbutanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-phenylbutanamide (CID 885528) is N-[(4-chlorophenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-phenylbutanamide?
The InChIKey is OWNOLRYIEBCRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)13-19-17(20)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2,(H,19,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-phenylbutanamide?
N-[(4-chlorophenyl)methyl]-4-phenylbutanamide has a molecular weight of 287.79 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 885528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).