2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid

C15H14ClNO3 — CID 114322179

IUPAC2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
SMILESO=C(O)CN(Cc1c(O)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-13-7-4-8-14(18)12(13)9-17(10-15(19)20)11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,19,20)
InChIKeyXRDWGBVSRMRLEJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.14
Rot. Bonds5

About 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid

2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid (PubChem CID 114322179) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
PubChem CID114322179
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid
SMILESO=C(O)CN(Cc1c(O)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-13-7-4-8-14(18)12(13)9-17(10-15(19)20)11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,19,20)
InChIKeyXRDWGBVSRMRLEJ-UHFFFAOYSA-N
XLogP3.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic 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

2-[N-[(2-chloro-6-fluorophenyl)methyl]anilino]acetic acid
CID 39402744
3-[N-[(2,6-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839248
3-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 114322202
2-[N-[(3,4-dihydroxyphenyl)methyl]anilino]acetic acid
CID 65056826
2-(N-prop-2-ynylanilino)acetic acid
CID 60839094
3-chloro-2-[(N-ethyl-4-methylanilino)methyl]phenol
CID 82982548
2-[N-[(4-bromo-2-chlorophenyl)methyl]anilino]acetic acid
CID 104573758
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
CID 65056920
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
2-[N-[(4-bromo-5-chlorothiophen-2-yl)methyl]anilino]acetic acid
CID 102844970
2-[3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]anilino]acetic acid
CID 81160826

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid (CID 114322179) is 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid is O=C(O)CN(Cc1c(O)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid?
The InChIKey is XRDWGBVSRMRLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-13-7-4-8-14(18)12(13)9-17(10-15(19)20)11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid?
2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid has a molecular weight of 291.73 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-chloro-6-hydroxyphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 114322179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).