N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide

C21H17F2NO — CID 22830347

IUPACN-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H17F2NO/c1-15-7-9-20(10-8-15)24(14-16-5-3-2-4-6-16)21(25)17-11-18(22)13-19(23)12-17/h2-13H,14H2,1H3
InChIKeyCHENZTHQIOHESI-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.12
Rot. Bonds4

About N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide

N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide (PubChem CID 22830347) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
PubChem CID22830347
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC NameN-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C21H17F2NO/c1-15-7-9-20(10-8-15)24(14-16-5-3-2-4-6-16)21(25)17-11-18(22)13-19(23)12-17/h2-13H,14H2,1H3
InChIKeyCHENZTHQIOHESI-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
2-(N-(3,5-difluorobenzoyl)anilino)acetic acid
CID 60832677
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-benzyl-2-fluoro-N-phenylpyridine-4-carboxamide
CID 52733507
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The IUPAC name of N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide (CID 22830347) is N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The canonical SMILES for N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide is Cc1ccc(N(Cc2ccccc2)C(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
The InChIKey is CHENZTHQIOHESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c1-15-7-9-20(10-8-15)24(14-16-5-3-2-4-6-16)21(25)17-11-18(22)13-19(23)12-17/h2-13H,14H2,1H3.
What are the key properties of N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide?
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide has a molecular weight of 337.37 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 22830347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).