N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride

C18H17ClN2O2 — CID 155408595

IUPACN-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H16N2O2.ClH/c19-11-12-5-8-14(9-6-12)20-18(22)16-10-7-13-3-1-2-4-15(13)17(16)21;/h1-10,21H,11,19H2,(H,20,22);1H
InChIKeyHSLKONMQKCLMFU-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.68
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride

N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride (PubChem CID 155408595) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride
PubChem CID155408595
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride
SMILESCl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C18H16N2O2.ClH/c19-11-12-5-8-14(9-6-12)20-18(22)16-10-7-13-3-1-2-4-15(13)17(16)21;/h1-10,21H,11,19H2,(H,20,22);1H
InChIKeyHSLKONMQKCLMFU-UHFFFAOYSA-N
XLogP3.68
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride (CID 155408595) is N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride is Cl.NCc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride?
The InChIKey is HSLKONMQKCLMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.ClH/c19-11-12-5-8-14(9-6-12)20-18(22)16-10-7-13-3-1-2-4-15(13)17(16)21;/h1-10,21H,11,19H2,(H,20,22);1H.
What are the key properties of N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride?
N-[4-(aminomethyl)phenyl]-1-hydroxynaphthalene-2-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 3.68, 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-hydroxynaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 155408595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).