4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid

C15H11ClFNO4 — CID 2194379

IUPAC4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11ClFNO4/c16-9-1-6-12(15(20)21)13(7-9)18-14(19)8-22-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyPXJYRTOSCWMNKV-UHFFFAOYSA-N
MW323.71 g/mol
LogP3.19
Rot. Bonds5

About 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid

4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid (PubChem CID 2194379) has the molecular formula C15H11ClFNO4 and a molecular weight of 323.71 g/mol. Its IUPAC name is 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
PubChem CID2194379
Molecular FormulaC15H11ClFNO4
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid
SMILESO=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H11ClFNO4/c16-9-1-6-12(15(20)21)13(7-9)18-14(19)8-22-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKeyPXJYRTOSCWMNKV-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
2-[[2-(4-bromophenoxy)acetyl]amino]-5-chlorobenzoic acid
CID 1026108
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791322
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
2-[[2-(3,5-dichlorophenoxy)acetyl]amino]benzoic acid
CID 11302225
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid (CID 2194379) is 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid is O=C(COc1ccc(F)cc1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid?
The InChIKey is PXJYRTOSCWMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO4/c16-9-1-6-12(15(20)21)13(7-9)18-14(19)8-22-11-4-2-10(17)3-5-11/h1-7H,8H2,(H,18,19)(H,20,21).
What are the key properties of 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid has a molecular weight of 323.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(4-fluorophenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 2194379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).