4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid

C21H15F2NO4 — CID 141120818

IUPAC4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
InChIInChI=1S/C21H15F2NO4/c22-17-5-2-6-18(23)19(17)20(25)24-15-3-1-4-16(11-15)28-12-13-7-9-14(10-8-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyPFKNWIUECKTXFL-UHFFFAOYSA-N
MW383.35 g/mol
LogP4.49
Rot. Bonds6

About 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid

4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid (PubChem CID 141120818) has the molecular formula C21H15F2NO4 and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
PubChem CID141120818
Molecular FormulaC21H15F2NO4
Molecular Weight383.35 g/mol
Exact Mass383.10
IUPAC Name4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cccc(NC(=O)c3c(F)cccc3F)c2)cc1
InChIInChI=1S/C21H15F2NO4/c22-17-5-2-6-18(23)19(17)20(25)24-15-3-1-4-16(11-15)28-12-13-7-9-14(10-8-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27)
InChIKeyPFKNWIUECKTXFL-UHFFFAOYSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
4-phenylmethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086755
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid?
The IUPAC name of 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid (CID 141120818) is 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid is O=C(O)c1ccc(COc2cccc(NC(=O)c3c(F)cccc3F)c2)cc1.
What is the InChIKey of 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid?
The InChIKey is PFKNWIUECKTXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO4/c22-17-5-2-6-18(23)19(17)20(25)24-15-3-1-4-16(11-15)28-12-13-7-9-14(10-8-13)21(26)27/h1-11H,12H2,(H,24,25)(H,26,27).
What are the key properties of 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid?
4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid has a molecular weight of 383.35 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2,6-difluorobenzoyl)amino]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 141120818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).