N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide

C19H19FN2O — CID 90867478

IUPACN-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-2-18(13-7-9-15(20)10-8-13)22-19(23)17-12-21-11-14-5-3-4-6-16(14)17/h3-10,12,17-18H,2,11H2,1H3,(H,22,23)/t17?,18-/m0/s1
InChIKeyZAZVHCLPQVMSMW-ZVAWYAOSSA-N
MW310.37 g/mol
LogP3.76
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide (PubChem CID 90867478) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide
PubChem CID90867478
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O/c1-2-18(13-7-9-15(20)10-8-13)22-19(23)17-12-21-11-14-5-3-4-6-16(14)17/h3-10,12,17-18H,2,11H2,1H3,(H,22,23)/t17?,18-/m0/s1
InChIKeyZAZVHCLPQVMSMW-ZVAWYAOSSA-N
XLogP3.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylpropyl]-1,4-dihydroisoquinoline-4-carboxamide
CID 91327650
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
3-(3,4-dihydro-1H-isochromene-1-carbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 119994936
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
2-[2-(4-fluorophenyl)butanoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 120534059
2,2,3,3-tetrafluoro-N-(1-phenylpropyl)propanamide
CID 113250858
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370
N-[(1S)-1-(4-fluorophenyl)propyl]-3-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42510383
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 125132862
6-(1-phenylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 17281542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide (CID 90867478) is N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide is CC[C@H](NC(=O)C1C=NCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is ZAZVHCLPQVMSMW-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-2-18(13-7-9-15(20)10-8-13)22-19(23)17-12-21-11-14-5-3-4-6-16(14)17/h3-10,12,17-18H,2,11H2,1H3,(H,22,23)/t17?,18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)propyl]-1,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 90867478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).