1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone

C13H12ClNO2 — CID 117377891

IUPAC1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClNO2/c1-15-7-12(17)13-10-4-3-9(14)6-8(10)2-5-11(13)16/h2-6,15-16H,7H2,1H3
InChIKeyMLBCIBAUMUDBTH-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.60
Rot. Bonds3

About 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone

1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone (PubChem CID 117377891) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone
PubChem CID117377891
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H12ClNO2/c1-15-7-12(17)13-10-4-3-9(14)6-8(10)2-5-11(13)16/h2-6,15-16H,7H2,1H3
InChIKeyMLBCIBAUMUDBTH-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-Dihydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481500
3-Hydroxy-naphthalene-2-carboxylic acid 4-chloro-benzylamide
CID 481486
N-(3-Chlorobenzyl)-3-hydroxy-2-naphthamide
CID 457313
5-Chloro-9-hydroxyphenalenone
CID 101991109
1-(3-Chloro-5-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
CID 84695074
5-chloro-4-hydroxy-N-methylnaphthalene-1-carboxamide
CID 68125738
6-chloro-4-hydroxy-N-methylnaphthalene-1-carboxamide
CID 68126482
2-Amino-1-(3-hydroxynaphthalen-2-yl)ethanone
CID 84024894
7-Chloro-3-hydroxy-2-naphthamide
CID 84055612
1-(6-Chloro-2-hydroxynaphthalen-1-yl)ethanone
CID 84686255
N-[(4-chlorophenyl)methyl]-2-hydroxynaphthalene-1-carboxamide
CID 142590572
[5-(2-Aminoethyl)-2-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 152031133

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone (CID 117377891) is 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(O)ccc2cc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone?
The InChIKey is MLBCIBAUMUDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-15-7-12(17)13-10-4-3-9(14)6-8(10)2-5-11(13)16/h2-6,15-16H,7H2,1H3.
What are the key properties of 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone?
1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone has a molecular weight of 249.70 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117377891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).