N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide

C14H13ClN2O2 — CID 106502622

IUPACN-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
SMILESNCc1ccccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-6-5-10(18)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyJCBOKHYFEJAPOX-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.76
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide

N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide (PubChem CID 106502622) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
PubChem CID106502622
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
SMILESNCc1ccccc1NC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-12-6-5-10(18)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7,18H,8,16H2,(H,17,19)
InChIKeyJCBOKHYFEJAPOX-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

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Related Compounds

N-[2-(aminomethyl)phenyl]-2,3-dichlorobenzamide
CID 64882330
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502755
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
CID 82546852
N-[2-(aminomethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 81295178
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide (CID 106502622) is N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide is NCc1ccccc1NC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide?
The InChIKey is JCBOKHYFEJAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-6-5-10(18)7-11(12)14(19)17-13-4-2-1-3-9(13)8-16/h1-7,18H,8,16H2,(H,17,19).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide?
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide 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 N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).