4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide

C23H22FNO — CID 162181441

IUPAC4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1
InChIInChI=1S/C23H22FNO/c1-17-9-15-20(16-10-17)25-23(26)8-4-5-18-11-13-19(14-12-18)21-6-2-3-7-22(21)24/h2-3,6-7,9-16H,4-5,8H2,1H3,(H,25,26)
InChIKeyCHLAUECPQKKMQS-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.76
Rot. Bonds6

About 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide

4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide (PubChem CID 162181441) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
PubChem CID162181441
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1
InChIInChI=1S/C23H22FNO/c1-17-9-15-20(16-10-17)25-23(26)8-4-5-18-11-13-19(14-12-18)21-6-2-3-7-22(21)24/h2-3,6-7,9-16H,4-5,8H2,1H3,(H,25,26)
InChIKeyCHLAUECPQKKMQS-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
CID 138674464
3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
CID 138674608
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
CID 161222823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide (CID 162181441) is 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCc2ccc(-c3ccccc3F)cc2)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide?
The InChIKey is CHLAUECPQKKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-17-9-15-20(16-10-17)25-23(26)8-4-5-18-11-13-19(14-12-18)21-6-2-3-7-22(21)24/h2-3,6-7,9-16H,4-5,8H2,1H3,(H,25,26).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide?
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide has a molecular weight of 347.43 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 162181441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).