N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide

C14H14N2O3 — CID 114343071

IUPACN-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
SMILESNCc1ccc(NC(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C14H14N2O3/c15-8-9-4-6-10(7-5-9)16-14(19)11-2-1-3-12(17)13(11)18/h1-7,17-18H,8,15H2,(H,16,19)
InChIKeyCNZDQHYIGRXKSF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.81
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide

N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide (PubChem CID 114343071) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
PubChem CID114343071
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
SMILESNCc1ccc(NC(=O)c2cccc(O)c2O)cc1
InChIInChI=1S/C14H14N2O3/c15-8-9-4-6-10(7-5-9)16-14(19)11-2-1-3-12(17)13(11)18/h1-7,17-18H,8,15H2,(H,16,19)
InChIKeyCNZDQHYIGRXKSF-UHFFFAOYSA-N
XLogP1.81
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 67175982
N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride
CID 164615663
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
N-(4-amino-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343222
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide
CID 174913098
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
2,3,4-trihydroxy-N-(4-phenylphenyl)benzamide
CID 139689164
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide (CID 114343071) is N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide is NCc1ccc(NC(=O)c2cccc(O)c2O)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide?
The InChIKey is CNZDQHYIGRXKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-8-9-4-6-10(7-5-9)16-14(19)11-2-1-3-12(17)13(11)18/h1-7,17-18H,8,15H2,(H,16,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide?
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide has a molecular weight of 258.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).