N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

C23H22FNO — CID 11841736

IUPACN-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1
InChIInChI=1S/C23H22FNO/c1-15-9-12-22(16(2)13-15)25-23(26)17(3)19-10-11-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26)
InChIKeyZMQNXUYIFLDVCQ-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.85
Rot. Bonds4

About N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide

N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 11841736) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID11841736
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1
InChIInChI=1S/C23H22FNO/c1-15-9-12-22(16(2)13-15)25-23(26)17(3)19-10-11-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26)
InChIKeyZMQNXUYIFLDVCQ-UHFFFAOYSA-N
XLogP5.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide (CID 11841736) is N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is Cc1ccc(NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is ZMQNXUYIFLDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-15-9-12-22(16(2)13-15)25-23(26)17(3)19-10-11-20(21(24)14-19)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,25,26).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide?
N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 347.43 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 11841736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).