N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide

C19H16Cl2N2O — CID 22032667

IUPACN-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide
SMILESCC(C(=O)NCc1cc(Cl)cc(Cl)c1)c1cccc2cnccc12
InChIInChI=1S/C19H16Cl2N2O/c1-12(17-4-2-3-14-11-22-6-5-18(14)17)19(24)23-10-13-7-15(20)9-16(21)8-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyVKOBNWORTNFWHX-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.96
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide

N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide (PubChem CID 22032667) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide
PubChem CID22032667
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide
SMILESCC(C(=O)NCc1cc(Cl)cc(Cl)c1)c1cccc2cnccc12
InChIInChI=1S/C19H16Cl2N2O/c1-12(17-4-2-3-14-11-22-6-5-18(14)17)19(24)23-10-13-7-15(20)9-16(21)8-13/h2-9,11-12H,10H2,1H3,(H,23,24)
InChIKeyVKOBNWORTNFWHX-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-yl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 22032670
N-[[3-tert-butyl-1-(6-chloro-2-pyridinyl)pyrazol-5-yl]methyl]-2-isoquinolin-5-ylpropanamide
CID 87087840
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
8-ethylisoquinoline;5-propan-2-ylisoquinoline
CID 169235936
tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-isoquinolin-5-yl-4-oxobutanoate
CID 22032681
lithium;di(propan-2-yl)azanide;ethyl 2-isoquinolin-5-ylpropanoate
CID 87935686
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
3-chloro-4-fluoro-N-[[3-(2-naphthalen-1-ylpropanoylamino)phenyl]methyl]benzamide
CID 141063781
2-naphthalen-1-ylpropanehydrazide
CID 116843953
2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 167839767
1-isoquinolin-5-yl-3-[(3-methylphenyl)methyl]urea
CID 10334463
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide (CID 22032667) is N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide is CC(C(=O)NCc1cc(Cl)cc(Cl)c1)c1cccc2cnccc12.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide?
The InChIKey is VKOBNWORTNFWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-12(17-4-2-3-14-11-22-6-5-18(14)17)19(24)23-10-13-7-15(20)9-16(21)8-13/h2-9,11-12H,10H2,1H3,(H,23,24).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide?
N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide has a molecular weight of 359.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-isoquinolin-5-ylpropanamide is sourced from PubChem (CID 22032667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).