4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid

C15H10F3NO3 — CID 153301739

IUPAC4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2C(F)F)cc1
InChIInChI=1S/C15H10F3NO3/c16-9-3-6-11(13(17)18)12(7-9)14(20)19-10-4-1-8(2-5-10)15(21)22/h1-7,13H,(H,19,20)(H,21,22)
InChIKeyWCQFYGGTWQDUJF-UHFFFAOYSA-N
MW309.24 g/mol
LogP3.71
Rot. Bonds4

About 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid

4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid (PubChem CID 153301739) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid
PubChem CID153301739
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2C(F)F)cc1
InChIInChI=1S/C15H10F3NO3/c16-9-3-6-11(13(17)18)12(7-9)14(20)19-10-4-1-8(2-5-10)15(21)22/h1-7,13H,(H,19,20)(H,21,22)
InChIKeyWCQFYGGTWQDUJF-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
CID 137373937
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
4-[(2,2-difluoroacetyl)amino]benzoic acid
CID 103513089
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid (CID 153301739) is 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(F)ccc2C(F)F)cc1.
What is the InChIKey of 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid?
The InChIKey is WCQFYGGTWQDUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO3/c16-9-3-6-11(13(17)18)12(7-9)14(20)19-10-4-1-8(2-5-10)15(21)22/h1-7,13H,(H,19,20)(H,21,22).
What are the key properties of 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid?
4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid has a molecular weight of 309.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid is sourced from PubChem (CID 153301739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).