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

C22H20N2O — CID 135391620

IUPAC(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1
InChIKeyANGTYJQSMCLDLI-NRFANRHFSA-N
MW328.42 g/mol
LogP4.87
Rot. Bonds2

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

(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 135391620) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID135391620
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1
InChIKeyANGTYJQSMCLDLI-NRFANRHFSA-N
XLogP4.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767297
(1S)-N-(2-chlorophenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391656
(1R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767632
(1R)-N-[3-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 59536396
(1R)-1-(4-fluorophenyl)-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767509
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
(1S)-1-phenyl-N-(thietan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166255511
(1R)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768228
methyl 3-[[(1R)-1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92769753
3-oxo-N,2-diphenylpiperidine-1-carboxamide
CID 91530761
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936

Frequently Asked Questions

What is the IUPAC name of (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 135391620) is (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is ANGTYJQSMCLDLI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(23-19-12-5-2-6-13-19)24-16-15-17-9-7-8-14-20(17)21(24)18-10-3-1-4-11-18/h1-14,21H,15-16H2,(H,23,25)/t21-/m0/s1.
What are the key properties of (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 135391620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).