N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide

C18H16N2O2 — CID 139415805

IUPACN-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESNCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C18H16N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,11,19H2,(H,20,22)
InChIKeyVRZLGSXKZZLNLO-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.26
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide

N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 139415805) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID139415805
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide
SMILESNCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C18H16N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,11,19H2,(H,20,22)
InChIKeyVRZLGSXKZZLNLO-UHFFFAOYSA-N
XLogP3.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.26
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]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide (CID 139415805) is N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide is NCc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is VRZLGSXKZZLNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-12-5-7-15(8-6-12)20-18(22)16-9-13-3-1-2-4-14(13)10-17(16)21/h1-10,21H,11,19H2,(H,20,22).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide?
N-[4-(aminomethyl)phenyl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.26, 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]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 139415805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).