4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid

C14H11ClFNO3 — CID 61496257

IUPAC4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO3/c15-10-2-1-3-11(16)9(10)7-20-13-6-8(14(18)19)4-5-12(13)17/h1-6H,7,17H2,(H,18,19)
InChIKeyYFWPIKMJUKNGCV-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.34
Rot. Bonds4

About 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid

4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid (PubChem CID 61496257) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
PubChem CID61496257
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFNO3/c15-10-2-1-3-11(16)9(10)7-20-13-6-8(14(18)19)4-5-12(13)17/h1-6H,7,17H2,(H,18,19)
InChIKeyYFWPIKMJUKNGCV-UHFFFAOYSA-N
XLogP3.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107673935
4-amino-3-[(4-bromo-2-fluorophenyl)methoxy]benzoic acid
CID 43438829
4-[[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 4719760
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83950958
4-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]benzoic acid
CID 66540688
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]-3-pyridinyl]benzoic acid
CID 10318129

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid (CID 61496257) is 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid is Nc1ccc(C(=O)O)cc1OCc1c(F)cccc1Cl.
What is the InChIKey of 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid?
The InChIKey is YFWPIKMJUKNGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-10-2-1-3-11(16)9(10)7-20-13-6-8(14(18)19)4-5-12(13)17/h1-6H,7,17H2,(H,18,19).
What are the key properties of 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid?
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid has a molecular weight of 295.70 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 61496257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).