N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H15ClN2O — CID 846926

IUPACN-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15ClN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyRYOXGENASFHQRV-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.93
Rot. Bonds1

About N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 846926) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID846926
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C16H15ClN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20)
InChIKeyRYOXGENASFHQRV-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
N-(4-acetyl-3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 20716372
N-(4-chlorophenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-7-carboxamide
CID 110647107
N-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2345538
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
N-(4-chlorophenyl)-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-imidazole-4-carboxamide
CID 42601276
N-[4-[[(3S)-3-methylpentanoyl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68752010
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68753684
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
[2-(4-chloroanilino)-2-oxoethyl]-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methylazanium
CID 8815524

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 846926) is N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCc2ccccc2C1.
What is the InChIKey of N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RYOXGENASFHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-5-7-15(8-6-14)18-16(20)19-10-9-12-3-1-2-4-13(12)11-19/h1-8H,9-11H2,(H,18,20).
What are the key properties of N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 846926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).