3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide

C15H20ClNO — CID 82109369

IUPAC3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20ClNO/c1-15(2,10-16)14(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOEJOGUGBZVVOIH-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.77
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide

3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide (PubChem CID 82109369) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
PubChem CID82109369
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20ClNO/c1-15(2,10-16)14(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOEJOGUGBZVVOIH-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-chloro-2,2-dimethylpropanamide
CID 7517769
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
CID 115157489
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604888
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide (CID 82109369) is 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide is CC(C)(CCl)C(=O)Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
The InChIKey is OEJOGUGBZVVOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-15(2,10-16)14(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h7-9H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide?
3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide has a molecular weight of 265.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide is sourced from PubChem (CID 82109369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).