3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide

C20H16F2N2O — CID 108745099

IUPAC3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16F2N2O/c1-13-6-9-15(10-7-13)23-18-4-2-3-5-19(18)24-20(25)14-8-11-16(21)17(22)12-14/h2-12,23H,1H3,(H,24,25)
InChIKeyKTZLZIYWCPLWCS-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.27
Rot. Bonds4

About 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide

3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide (PubChem CID 108745099) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
PubChem CID108745099
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H16F2N2O/c1-13-6-9-15(10-7-13)23-18-4-2-3-5-19(18)24-20(25)14-8-11-16(21)17(22)12-14/h2-12,23H,1H3,(H,24,25)
InChIKeyKTZLZIYWCPLWCS-UHFFFAOYSA-N
XLogP5.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745109
4-(dimethylamino)-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745006
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
4-methyl-N-[2-(4-methylanilino)phenyl]-3,5-dinitrobenzamide
CID 108745001
[3-[(3,4-difluorobenzoyl)amino]-4-fluorophenyl]carbamic acid
CID 137353706
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-fluoro-4-(4-methylanilino)benzoic acid
CID 82294597
N-[2-(4-methylanilino)phenyl]pyridine-2-carboxamide
CID 108745005
2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108767308

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide (CID 108745099) is 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide is Cc1ccc(Nc2ccccc2NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The InChIKey is KTZLZIYWCPLWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-13-6-9-15(10-7-13)23-18-4-2-3-5-19(18)24-20(25)14-8-11-16(21)17(22)12-14/h2-12,23H,1H3,(H,24,25).
What are the key properties of 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide has a molecular weight of 338.36 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide is sourced from PubChem (CID 108745099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).