3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid

C14H11Cl2NO3 — CID 43379751

IUPAC3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESNc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-10-3-1-9(11(16)6-10)7-20-13-4-2-8(14(18)19)5-12(13)17/h1-6H,7,17H2,(H,18,19)
InChIKeyVIQSKFUDEPIADL-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.85
Rot. Bonds4

About 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid

3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid (PubChem CID 43379751) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
PubChem CID43379751
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid
SMILESNc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-10-3-1-9(11(16)6-10)7-20-13-4-2-8(14(18)19)5-12(13)17/h1-6H,7,17H2,(H,18,19)
InChIKeyVIQSKFUDEPIADL-UHFFFAOYSA-N
XLogP3.85
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.85
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-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
methyl 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzoate
CID 65316790
methyl 3-amino-4-[(4-chloro-2-fluorophenyl)methoxy]benzoate
CID 114850858
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
3-amino-4-[(2-bromophenyl)methoxy]benzoic acid
CID 43379750
2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 66527646
(2,4-dichlorophenyl)methyl 3-amino-4-chlorobenzoate
CID 16578139
4-[(2,4-dichlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682061
4-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methylbenzoic acid
CID 17059337
3-amino-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 43379780

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The IUPAC name of 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid (CID 43379751) is 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The canonical SMILES for 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid is Nc1cc(C(=O)O)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
The InChIKey is VIQSKFUDEPIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-10-3-1-9(11(16)6-10)7-20-13-4-2-8(14(18)19)5-12(13)17/h1-6H,7,17H2,(H,18,19).
What are the key properties of 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid?
3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid has a molecular weight of 312.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,4-dichlorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 43379751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).