2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide

C20H16F2N2O — CID 108745109

IUPAC2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C20H16F2N2O/c1-13-6-9-15(10-7-13)23-18-4-2-3-5-19(18)24-20(25)16-12-14(21)8-11-17(16)22/h2-12,23H,1H3,(H,24,25)
InChIKeyQRMSAQSPBOAJRT-UHFFFAOYSA-N
MW338.36 g/mol
LogP5.27
Rot. Bonds4

About 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide

2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide (PubChem CID 108745109) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
PubChem CID108745109
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
SMILESCc1ccc(Nc2ccccc2NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C20H16F2N2O/c1-13-6-9-15(10-7-13)23-18-4-2-3-5-19(18)24-20(25)16-12-14(21)8-11-17(16)22/h2-12,23H,1H3,(H,24,25)
InChIKeyQRMSAQSPBOAJRT-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

3,4-difluoro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108745099
4-chloro-N-[2-(4-methylanilino)phenyl]benzamide
CID 108767264
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
4-chloro-N-[2-(4-methylanilino)phenyl]-2-nitrobenzamide
CID 108745100
N-[2-(4-methylanilino)phenyl]acetamide
CID 21106134
2-(4-fluorophenyl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767260
N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
N-[2-(bromomethyl)phenyl]-2,5-difluorobenzamide
CID 113274477
N-(2-amino-4,5-dimethylphenyl)-2,5-difluorobenzamide
CID 62100127
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide (CID 108745109) is 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide is Cc1ccc(Nc2ccccc2NC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
The InChIKey is QRMSAQSPBOAJRT-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)16-12-14(21)8-11-17(16)22/h2-12,23H,1H3,(H,24,25).
What are the key properties of 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide?
2,5-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 2,5-difluoro-N-[2-(4-methylanilino)phenyl]benzamide is sourced from PubChem (CID 108745109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).