N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

C17H15ClN2O2 — CID 110690377

IUPACN-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)NCc2ccccc2Cl)Cc2ccccc21
InChIInChI=1S/C17H15ClN2O2/c18-14-8-4-2-6-12(14)10-19-17(22)15-9-11-5-1-3-7-13(11)16(21)20-15/h1-8,15H,9-10H2,(H,19,22)(H,20,21)
InChIKeyPAMOVNOQTVOSTD-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.31
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (PubChem CID 110690377) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
PubChem CID110690377
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
SMILESO=C1NC(C(=O)NCc2ccccc2Cl)Cc2ccccc21
InChIInChI=1S/C17H15ClN2O2/c18-14-8-4-2-6-12(14)10-19-17(22)15-9-11-5-1-3-7-13(11)16(21)20-15/h1-8,15H,9-10H2,(H,19,22)(H,20,21)
InChIKeyPAMOVNOQTVOSTD-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28514089
N-(2-chlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690446
N-[2-(4-chlorophenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690401
N-(2,3-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690503
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(3S)-N-(oxan-4-ylmethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 125167141
N-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690499
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
(3R)-N-[2-(furan-2-yl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 126426160
(3R)-1-oxo-N-[3-(2H-tetrazol-5-yl)propyl]-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 126430967
1-oxo-N-pyrimidin-2-yl-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 110690484
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide (CID 110690377) is N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is O=C1NC(C(=O)NCc2ccccc2Cl)Cc2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
The InChIKey is PAMOVNOQTVOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-14-8-4-2-6-12(14)10-19-17(22)15-9-11-5-1-3-7-13(11)16(21)20-15/h1-8,15H,9-10H2,(H,19,22)(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 110690377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).