N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide

C15H15ClN2O2 — CID 103110241

IUPACN-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
SMILESCc1c(N)cccc1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-13(9)17)8-18-15(20)12-6-5-11(16)7-14(12)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyJKSTYRFIROUEBO-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.87
Rot. Bonds3

About N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide

N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide (PubChem CID 103110241) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
PubChem CID103110241
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
SMILESCc1c(N)cccc1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-13(9)17)8-18-15(20)12-6-5-11(16)7-14(12)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyJKSTYRFIROUEBO-UHFFFAOYSA-N
XLogP2.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 54941047
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
CID 106500148
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-chloro-2-hydroxybenzamide
CID 79531317
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide (CID 103110241) is N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide is Cc1c(N)cccc1CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide?
The InChIKey is JKSTYRFIROUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-13(9)17)8-18-15(20)12-6-5-11(16)7-14(12)19/h2-7,19H,8,17H2,1H3,(H,18,20).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide?
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 103110241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).