3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide

C15H15ClN2O2 — CID 115904226

IUPAC3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
SMILESCc1c(NCc2cccc(Cl)c2O)cccc1C(N)=O
InChIInChI=1S/C15H15ClN2O2/c1-9-11(15(17)20)5-3-7-13(9)18-8-10-4-2-6-12(16)14(10)19/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyXTOMKTGOCZKIMQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.07
Rot. Bonds4

About 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide

3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide (PubChem CID 115904226) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
PubChem CID115904226
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide
SMILESCc1c(NCc2cccc(Cl)c2O)cccc1C(N)=O
InChIInChI=1S/C15H15ClN2O2/c1-9-11(15(17)20)5-3-7-13(9)18-8-10-4-2-6-12(16)14(10)19/h2-7,18-19H,8H2,1H3,(H2,17,20)
InChIKeyXTOMKTGOCZKIMQ-UHFFFAOYSA-N
XLogP3.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17058986
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
methyl 3-[(3-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 61390835
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide?
The IUPAC name of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide (CID 115904226) is 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide is Cc1c(NCc2cccc(Cl)c2O)cccc1C(N)=O.
What is the InChIKey of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide?
The InChIKey is XTOMKTGOCZKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-11(15(17)20)5-3-7-13(9)18-8-10-4-2-6-12(16)14(10)19/h2-7,18-19H,8H2,1H3,(H2,17,20).
What are the key properties of 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide?
3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzamide is sourced from PubChem (CID 115904226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).