2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide

C14H13ClN2O2 — CID 82546409

IUPAC2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESNCc1ccccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClN2O2/c15-10-5-6-13(18)12(7-10)17-14(19)11-4-2-1-3-9(11)8-16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyNVKSGPCDGBJJFW-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.76
Rot. Bonds3

About 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide

2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide (PubChem CID 82546409) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
PubChem CID82546409
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESNCc1ccccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H13ClN2O2/c15-10-5-6-13(18)12(7-10)17-14(19)11-4-2-1-3-9(11)8-16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyNVKSGPCDGBJJFW-UHFFFAOYSA-N
XLogP2.76
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-(aminomethyl)-N-(3,5-dichlorophenyl)benzamide
CID 82546015
2-amino-N-(5-chloro-2-hydroxyphenyl)pyridine-3-carboxamide
CID 82546413
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
CID 82546852
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411
N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide?
The IUPAC name of 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide (CID 82546409) is 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide is NCc1ccccc1C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide?
The InChIKey is NVKSGPCDGBJJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-5-6-13(18)12(7-10)17-14(19)11-4-2-1-3-9(11)8-16/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide?
2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide has a molecular weight of 276.72 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 82546409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).