3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide

C14H14ClNO2 — CID 62726815

IUPAC3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C14H14ClNO2/c1-9(8-15)14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8H2,1H3,(H,16,18)
InChIKeyJCSIENBMNGWNJC-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.36
Rot. Bonds3

About 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide

3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide (PubChem CID 62726815) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
PubChem CID62726815
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide
SMILESCC(CCl)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C14H14ClNO2/c1-9(8-15)14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8H2,1H3,(H,16,18)
InChIKeyJCSIENBMNGWNJC-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
(2S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylbutanamide
CID 61180078
N-(5-hydroxynaphthalen-1-yl)-4,4-dimethyl-2-propan-2-ylpentanamide
CID 135192580
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
2-methyl-N-[5-(methylcarbamoylamino)naphthalen-1-yl]pentanamide
CID 145301139
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
3-amino-N-(5-hydroxynaphthalen-1-yl)butanamide
CID 60841593
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide (CID 62726815) is 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide is CC(CCl)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide?
The InChIKey is JCSIENBMNGWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-9(8-15)14(18)16-12-6-2-5-11-10(12)4-3-7-13(11)17/h2-7,9,17H,8H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide?
3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide has a molecular weight of 263.72 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-hydroxynaphthalen-1-yl)-2-methylpropanamide is sourced from PubChem (CID 62726815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).