N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide

C20H20Cl2N2O — CID 10292834

IUPACN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C2CC2)C1
InChIInChI=1S/C20H20Cl2N2O/c1-24-10-16(15-8-13(21)9-18(22)17(15)11-24)14-4-2-3-5-19(14)23-20(25)12-6-7-12/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,23,25)
InChIKeyKSLUOYSGQYULGE-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.92
Rot. Bonds3

About N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide

N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide (PubChem CID 10292834) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide
PubChem CID10292834
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C2CC2)C1
InChIInChI=1S/C20H20Cl2N2O/c1-24-10-16(15-8-13(21)9-18(22)17(15)11-24)14-4-2-3-5-19(14)23-20(25)12-6-7-12/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,23,25)
InChIKeyKSLUOYSGQYULGE-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
CID 46229969
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N-phenyl-propionamide
CID 11233617
N-[(2,4-dichlorophenyl)methyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 16287819
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 38106183
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 44416201
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(4-chloro-2-methylphenyl)-2-methylpropan-1-one
CID 44416213
N-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)cyclopropanecarboxamide
CID 46229866
1-[(2,4-Dichloro-6-methylphenyl)methyl]-4-(2-methylphenyl)piperazine-2,3-dione
CID 49839498
N-tert-butyl-1-[[3-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72704246
3-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 44330138
(R)-1-(4-(2-((R)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(4-chloro-2-methylphenyl)-2-methylpropan-1-one
CID 44416214
N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide
CID 46890847

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide (CID 10292834) is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)C2CC2)C1.
What is the InChIKey of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is KSLUOYSGQYULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-24-10-16(15-8-13(21)9-18(22)17(15)11-24)14-4-2-3-5-19(14)23-20(25)12-6-7-12/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide?
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 375.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 10292834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).