N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride

C19H19ClN2O2 — CID 164615663

IUPACN-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride
SMILESCc1ccc2ccc(C(=O)Nc3ccc(CN)cc3)c(O)c2c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-2-5-14-6-9-16(18(22)17(14)10-12)19(23)21-15-7-3-13(11-20)4-8-15;/h2-10,22H,11,20H2,1H3,(H,21,23);1H
InChIKeyNZFYWWDASAKNPV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.99
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride

N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride (PubChem CID 164615663) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride
PubChem CID164615663
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride
SMILESCc1ccc2ccc(C(=O)Nc3ccc(CN)cc3)c(O)c2c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-2-5-14-6-9-16(18(22)17(14)10-12)19(23)21-15-7-3-13(11-20)4-8-15;/h2-10,22H,11,20H2,1H3,(H,21,23);1H
InChIKeyNZFYWWDASAKNPV-UHFFFAOYSA-N
XLogP3.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 67175982
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-[4-(2-aminoethoxy)phenyl]-2-hydroxy-4-methylbenzamide
CID 43369291
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
2-bromo-N-[4-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 81112261
2-[[4-[(4-methylphenyl)methyl]phenyl]carbamoyl]benzoate
CID 155766667

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride (CID 164615663) is N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride is Cc1ccc2ccc(C(=O)Nc3ccc(CN)cc3)c(O)c2c1.Cl.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride?
The InChIKey is NZFYWWDASAKNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c1-12-2-5-14-6-9-16(18(22)17(14)10-12)19(23)21-15-7-3-13(11-20)4-8-15;/h2-10,22H,11,20H2,1H3,(H,21,23);1H.
What are the key properties of N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride?
N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1-hydroxy-7-methylnaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 164615663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).