4-chloro-N-(4-phenylbutyl)benzamide

C17H18ClNO — CID 2057490

IUPAC4-chloro-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)17(20)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20)
InChIKeyBQKVAIJCQSQLHK-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.09
Rot. Bonds6

About 4-chloro-N-(4-phenylbutyl)benzamide

4-chloro-N-(4-phenylbutyl)benzamide (PubChem CID 2057490) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-phenylbutyl)benzamide
PubChem CID2057490
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-chloro-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)17(20)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20)
InChIKeyBQKVAIJCQSQLHK-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
N-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]benzamide
CID 110309420
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-[[diiodo-[4-(8-phenyloctylcarbamoyl)phenyl]methoxy]-diiodomethyl]-N-(8-phenyloctyl)benzamide
CID 141017133
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-chloro-N'-(2-phenylethyl)benzohydrazide
CID 110168183
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenylbutyl)benzamide?
The IUPAC name of 4-chloro-N-(4-phenylbutyl)benzamide (CID 2057490) is 4-chloro-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-phenylbutyl)benzamide?
The InChIKey is BQKVAIJCQSQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-11-9-15(10-12-16)17(20)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20).
What are the key properties of 4-chloro-N-(4-phenylbutyl)benzamide?
4-chloro-N-(4-phenylbutyl)benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 2057490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).