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

C19H13F3N2O — CID 112986865

IUPAC3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H13F3N2O/c20-13-2-4-14(5-3-13)23-15-6-8-16(9-7-15)24-19(25)12-1-10-17(21)18(22)11-12/h1-11,23H,(H,24,25)
InChIKeyFRDPWLRUYCBEBK-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.10
Rot. Bonds4

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

3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide (PubChem CID 112986865) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
PubChem CID112986865
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)cc2)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H13F3N2O/c20-13-2-4-14(5-3-13)23-15-6-8-16(9-7-15)24-19(25)12-1-10-17(21)18(22)11-12/h1-11,23H,(H,24,25)
InChIKeyFRDPWLRUYCBEBK-UHFFFAOYSA-N
XLogP5.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
CID 112988151
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide (CID 112986865) is 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide is O=C(Nc1ccc(Nc2ccc(F)cc2)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide?
The InChIKey is FRDPWLRUYCBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c20-13-2-4-14(5-3-13)23-15-6-8-16(9-7-15)24-19(25)12-1-10-17(21)18(22)11-12/h1-11,23H,(H,24,25).
What are the key properties of 3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide?
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide has a molecular weight of 342.32 g/mol, XLogP of 5.10, 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-[4-(4-fluoroanilino)phenyl]benzamide is sourced from PubChem (CID 112986865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).