N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide

C22H19F2NO — CID 87114822

IUPACN-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccccc1CCCc1ccccc1
InChIInChI=1S/C22H19F2NO/c23-18-13-14-21(20(24)15-18)25-22(26)19-12-5-4-10-17(19)11-6-9-16-7-2-1-3-8-16/h1-5,7-8,10,12-15H,6,9,11H2,(H,25,26)
InChIKeyIJLKNORQJJUQNC-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.39
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide

N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide (PubChem CID 87114822) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
PubChem CID87114822
Molecular FormulaC22H19F2NO
Molecular Weight351.40 g/mol
Exact Mass351.14
IUPAC NameN-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccccc1CCCc1ccccc1
InChIInChI=1S/C22H19F2NO/c23-18-13-14-21(20(24)15-18)25-22(26)19-12-5-4-10-17(19)11-6-9-16-7-2-1-3-8-16/h1-5,7-8,10,12-15H,6,9,11H2,(H,25,26)
InChIKeyIJLKNORQJJUQNC-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
2-benzyl-N-(2-chloro-4-fluorophenyl)benzamide
CID 26364255
2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
CID 148674370
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
1-(2,4-difluorophenyl)-3-[3-(2-phenylethoxy)propyl]urea
CID 47050815
N-(2,4-difluorophenyl)-2,2-dimethyl-4-phenylbutanamide
CID 174373739
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2,4-difluorophenyl)-2-methylsulfonylbenzamide
CID 7565548

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide (CID 87114822) is N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide is O=C(Nc1ccc(F)cc1F)c1ccccc1CCCc1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide?
The InChIKey is IJLKNORQJJUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO/c23-18-13-14-21(20(24)15-18)25-22(26)19-12-5-4-10-17(19)11-6-9-16-7-2-1-3-8-16/h1-5,7-8,10,12-15H,6,9,11H2,(H,25,26).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide?
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide has a molecular weight of 351.40 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide is sourced from PubChem (CID 87114822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).