2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

C20H18Cl2N2O2 — CID 16943511

IUPAC2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2O2/c21-15-4-6-17(18(22)10-15)19(25)23-16-5-3-12-7-8-24(11-14(12)9-16)20(26)13-1-2-13/h3-6,9-10,13H,1-2,7-8,11H2,(H,23,25)
InChIKeyDWTZXYREWZNOAA-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.54
Rot. Bonds3

About 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide (PubChem CID 16943511) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
PubChem CID16943511
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N2O2/c21-15-4-6-17(18(22)10-15)19(25)23-16-5-3-12-7-8-24(11-14(12)9-16)20(26)13-1-2-13/h3-6,9-10,13H,1-2,7-8,11H2,(H,23,25)
InChIKeyDWTZXYREWZNOAA-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943514
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclopropanecarboxamide
CID 16943500
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,5-dichlorobenzamide
CID 16942842
2,5-dichloro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942977
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxybenzamide
CID 16943485
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-propan-2-yloxybenzamide
CID 16943470
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-ethoxybenzamide
CID 16943535
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943244
1-(3-chlorophenyl)-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944254
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-chloro-2-nitrobenzamide
CID 16942820

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide (CID 16943511) is 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide is O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The InChIKey is DWTZXYREWZNOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-15-4-6-17(18(22)10-15)19(25)23-16-5-3-12-7-8-24(11-14(12)9-16)20(26)13-1-2-13/h3-6,9-10,13H,1-2,7-8,11H2,(H,23,25).
What are the key properties of 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide has a molecular weight of 389.28 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide is sourced from PubChem (CID 16943511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).