3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide

C21H16FNO2 — CID 18545673

IUPAC3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C(=O)c2ccccc2)c1)c1cccc(F)c1
InChIInChI=1S/C21H16FNO2/c1-23(19-12-6-11-18(22)14-19)21(25)17-10-5-9-16(13-17)20(24)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeySYUWTPXDPITSFT-UHFFFAOYSA-N
MW333.36 g/mol
LogP4.33
Rot. Bonds4

About 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide

3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 18545673) has the molecular formula C21H16FNO2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
PubChem CID18545673
Molecular FormulaC21H16FNO2
Molecular Weight333.36 g/mol
Exact Mass333.12
IUPAC Name3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C(=O)c2ccccc2)c1)c1cccc(F)c1
InChIInChI=1S/C21H16FNO2/c1-23(19-12-6-11-18(22)14-19)21(25)17-10-5-9-16(13-17)20(24)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeySYUWTPXDPITSFT-UHFFFAOYSA-N
XLogP4.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-fluoro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-methylbenzamide
CID 76932851
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
N-(3-fluorophenyl)-4-hydrazinyl-N,3-dimethylbenzamide
CID 63211664
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
ethane;N-methyl-N-[3-(N-methylanilino)phenyl]benzamide;N-methyl-3-(N-methylanilino)-N-phenylbenzamide
CID 161374433
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide (CID 18545673) is 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide is CN(C(=O)c1cccc(C(=O)c2ccccc2)c1)c1cccc(F)c1.
What is the InChIKey of 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is SYUWTPXDPITSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO2/c1-23(19-12-6-11-18(22)14-19)21(25)17-10-5-9-16(13-17)20(24)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide?
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 333.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 18545673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).