1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide

C23H27ClN2O — CID 32763790

IUPAC1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27ClN2O/c1-22(2,26-14-11-17-5-3-4-6-18(17)15-26)16-25-21(27)23(12-13-23)19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,27)
InChIKeyGPVOCCIBHACOQN-UHFFFAOYSA-N
MW382.94 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 32763790) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID32763790
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C23H27ClN2O/c1-22(2,26-14-11-17-5-3-4-6-18(17)15-26)16-25-21(27)23(12-13-23)19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,27)
InChIKeyGPVOCCIBHACOQN-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119850054
2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide
CID 32765247
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(2,2-dimethylpropyl)urea
CID 112840167
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618569
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119627014
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]acetamide;dihydrochloride
CID 119850045
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504846
N-(2-methyl-2-morpholin-4-ylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 51173133
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
1-(4-chlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclopropane-1-carboxamide
CID 56827735
cis-(1S,3R)-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065417
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)cyclopropane-1-carboxamide
CID 65112164

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide (CID 32763790) is 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide is CC(C)(CNC(=O)C1(c2ccc(Cl)cc2)CC1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is GPVOCCIBHACOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-22(2,26-14-11-17-5-3-4-6-18(17)15-26)16-25-21(27)23(12-13-23)19-7-9-20(24)10-8-19/h3-10H,11-16H2,1-2H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 382.94 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 32763790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).