N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide

C13H13ClN2O2 — CID 134097117

IUPACN-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
SMILESNCCNC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C13H13ClN2O2/c14-11-7-10(13(18)16-6-5-15)12(17)9-4-2-1-3-8(9)11/h1-4,7,17H,5-6,15H2,(H,16,18)
InChIKeyJYOYUUHXSRVXMB-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.89
Rot. Bonds3

About N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide

N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide (PubChem CID 134097117) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
PubChem CID134097117
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC NameN-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide
SMILESNCCNC(=O)c1cc(Cl)c2ccccc2c1O
InChIInChI=1S/C13H13ClN2O2/c14-11-7-10(13(18)16-6-5-15)12(17)9-4-2-1-3-8(9)11/h1-4,7,17H,5-6,15H2,(H,16,18)
InChIKeyJYOYUUHXSRVXMB-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
tert-butyl 2-[(4-chloro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
CID 66701166
1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-aminoethyl)-4,5-dichloro-2-methoxybenzamide;hydrochloride
CID 119384245
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
4-chloro-1-hydroxy-N'-(2-octyldodecanoyl)naphthalene-2-carbohydrazide
CID 20826661
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
CID 18372562

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide (CID 134097117) is N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide is NCCNC(=O)c1cc(Cl)c2ccccc2c1O.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is JYOYUUHXSRVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-11-7-10(13(18)16-6-5-15)12(17)9-4-2-1-3-8(9)11/h1-4,7,17H,5-6,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide?
N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 264.71 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 134097117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).