N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide

C21H18FNO2 — CID 3724237

IUPACN-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-25-20-13-11-19(12-14-20)23(15-16-5-3-2-4-6-16)21(24)17-7-9-18(22)10-8-17/h2-14H,15H2,1H3
InChIKeyOJYCDIWTYIBDGL-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.68
Rot. Bonds5

About N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide

N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide (PubChem CID 3724237) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
PubChem CID3724237
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC NameN-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H18FNO2/c1-25-20-13-11-19(12-14-20)23(15-16-5-3-2-4-6-16)21(24)17-7-9-18(22)10-8-17/h2-14H,15H2,1H3
InChIKeyOJYCDIWTYIBDGL-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-benzyl-N-(4-methoxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 134012327
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18860713
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-(4-fluorophenyl)-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 42724477
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide (CID 3724237) is N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide is COc1ccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide?
The InChIKey is OJYCDIWTYIBDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-20-13-11-19(12-14-20)23(15-16-5-3-2-4-6-16)21(24)17-7-9-18(22)10-8-17/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide?
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 3724237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).