4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid

C20H13F2NO3 — CID 137373937

IUPAC4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2F)cc1
InChIInChI=1S/C20H13F2NO3/c21-13-7-10-15(16-3-1-2-4-18(16)22)17(11-13)19(24)23-14-8-5-12(6-9-14)20(25)26/h1-11H,(H,23,24)(H,25,26)
InChIKeyYPHNFJCRJNYLLY-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.58
Rot. Bonds4

About 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid

4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid (PubChem CID 137373937) has the molecular formula C20H13F2NO3 and a molecular weight of 353.32 g/mol. Its IUPAC name is 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
PubChem CID137373937
Molecular FormulaC20H13F2NO3
Molecular Weight353.32 g/mol
Exact Mass353.09
IUPAC Name4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2F)cc1
InChIInChI=1S/C20H13F2NO3/c21-13-7-10-15(16-3-1-2-4-18(16)22)17(11-13)19(24)23-14-8-5-12(6-9-14)20(25)26/h1-11H,(H,23,24)(H,25,26)
InChIKeyYPHNFJCRJNYLLY-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(difluoromethyl)-5-fluorobenzoyl]amino]benzoic acid
CID 153301739
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid?
The IUPAC name of 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid (CID 137373937) is 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2F)cc1.
What is the InChIKey of 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid?
The InChIKey is YPHNFJCRJNYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2NO3/c21-13-7-10-15(16-3-1-2-4-18(16)22)17(11-13)19(24)23-14-8-5-12(6-9-14)20(25)26/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid?
4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid has a molecular weight of 353.32 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-(2-fluorophenyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 137373937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).