N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H22ClNO — CID 107127715

IUPACN-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C17H22ClNO/c18-15-7-3-4-8-16(15)19-17(20)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-16H,3-4,7-11H2,(H,19,20)
InChIKeyDSMSNVSLMKHTIQ-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.46
Rot. Bonds2

About N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127715) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127715
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)C1CCc2ccccc2C1
InChIInChI=1S/C17H22ClNO/c18-15-7-3-4-8-16(15)19-17(20)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-16H,3-4,7-11H2,(H,19,20)
InChIKeyDSMSNVSLMKHTIQ-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.46
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

N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126391
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409165
N-piperidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126396
N-(4-chloro-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893127
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127092
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127715) is N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NC1CCCCC1Cl)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DSMSNVSLMKHTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-15-7-3-4-8-16(15)19-17(20)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,14-16H,3-4,7-11H2,(H,19,20).
What are the key properties of N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 291.82 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).