N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C19H19ClN2O2 — CID 53147515

IUPACN-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-22-17(23)11-14-5-3-4-6-16(14)18(22)19(24)21-12-13-7-9-15(20)10-8-13/h3-10,18H,2,11-12H2,1H3,(H,21,24)
InChIKeyXJLYUCOBSXEONQ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147515) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147515
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c1-2-22-17(23)11-14-5-3-4-6-16(14)18(22)19(24)21-12-13-7-9-15(20)10-8-13/h3-10,18H,2,11-12H2,1H3,(H,21,24)
InChIKeyXJLYUCOBSXEONQ-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 53147515) is N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is XJLYUCOBSXEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-2-22-17(23)11-14-5-3-4-6-16(14)18(22)19(24)21-12-13-7-9-15(20)10-8-13/h3-10,18H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).