N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide

C15H15ClN2O2 — CID 106500148

IUPACN-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
SMILESCc1c(N)cccc1CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-14(9)17)8-18-15(20)12-7-11(19)5-6-13(12)16/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyNMGPACAFGYIQAX-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.87
Rot. Bonds3

About N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide

N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106500148) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
PubChem CID106500148
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide
SMILESCc1c(N)cccc1CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-14(9)17)8-18-15(20)12-7-11(19)5-6-13(12)16/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyNMGPACAFGYIQAX-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

2-chloro-5-hydroxy-N-[(2-methylphenyl)methyl]benzamide
CID 106501455
N-[(3-amino-2-methylphenyl)methyl]-2,3-dichlorobenzamide
CID 103110309
N-[(3-amino-2-methylphenyl)methyl]-4-chloro-2-hydroxybenzamide
CID 103110241
N-[(3-amino-2-methylphenyl)methyl]-3-chloro-4-fluorobenzamide
CID 103110367
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
N-[(3-amino-2-methylphenyl)methyl]-2-bromo-5-methylbenzamide
CID 103110132
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
N-[(2-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863466
N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
N-[2-(2-aminophenoxy)ethyl]-2-chloro-5-hydroxybenzamide
CID 106500099

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide (CID 106500148) is N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide is Cc1c(N)cccc1CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is NMGPACAFGYIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-10(3-2-4-14(9)17)8-18-15(20)12-7-11(19)5-6-13(12)16/h2-7,19H,8,17H2,1H3,(H,18,20).
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-hydroxybenzamide?
N-[(3-amino-2-methylphenyl)methyl]-2-chloro-5-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]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106500148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).