N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide

C17H18FNO — CID 842101

IUPACN-(3-fluoro-4-methylphenyl)-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCCc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO/c1-13-10-11-15(12-16(13)18)19-17(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,20)
InChIKeyBBCBFQVUXJEDSN-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.10
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide

N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide (PubChem CID 842101) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-phenylbutanamide
PubChem CID842101
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-phenylbutanamide
SMILESCc1ccc(NC(=O)CCCc2ccccc2)cc1F
InChIInChI=1S/C17H18FNO/c1-13-10-11-15(12-16(13)18)19-17(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,20)
InChIKeyBBCBFQVUXJEDSN-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide (CID 842101) is N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide is Cc1ccc(NC(=O)CCCc2ccccc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide?
The InChIKey is BBCBFQVUXJEDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-13-10-11-15(12-16(13)18)19-17(20)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide?
N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide has a molecular weight of 271.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 842101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).