N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H22ClNO — CID 107127677

IUPACN-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN(CC1CC(Cl)C1)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H22ClNO/c1-19(11-12-8-16(18)9-12)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15-16H,6-11H2,1H3
InChIKeyHQFDRXXIHLVCLU-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.27
Rot. Bonds3

About N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127677) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127677
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCN(CC1CC(Cl)C1)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C17H22ClNO/c1-19(11-12-8-16(18)9-12)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15-16H,6-11H2,1H3
InChIKeyHQFDRXXIHLVCLU-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 90650561
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126398
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703822
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
(4-ethylcyclohexyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65408200
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
N-(2-bromoethyl)-N-cyclobutyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127798
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127553
(3-chlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 65409160
(3-chloro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126880

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127677) is N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CN(CC1CC(Cl)C1)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HQFDRXXIHLVCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-19(11-12-8-16(18)9-12)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15-16H,6-11H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 291.82 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).