N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide

C19H19FN2O — CID 68797620

IUPACN-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1=CNCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O/c1-2-18(13-7-5-8-15(20)10-13)22-19(23)17-12-21-11-14-6-3-4-9-16(14)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyAOGQYUJLQTYCJK-SFHVURJKSA-N
MW310.37 g/mol
LogP3.54
Rot. Bonds4

About N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide

N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide (PubChem CID 68797620) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide
PubChem CID68797620
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide
SMILESCC[C@H](NC(=O)C1=CNCc2ccccc21)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O/c1-2-18(13-7-5-8-15(20)10-13)22-19(23)17-12-21-11-14-6-3-4-9-16(14)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyAOGQYUJLQTYCJK-SFHVURJKSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2S)-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-2-phenylbutanamide
CID 129358899
N-[(2-ethylphenyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871625
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-[1-(3-fluorophenyl)propylamino]-2-methylpropan-1-ol
CID 114871634
2-amino-N-[1-(3-chlorophenyl)propyl]-4-fluorobenzamide
CID 63110061
3-[1-(3-fluorophenyl)propylamino]-2-hydroxypropanamide
CID 106170791
N-[1-(3-fluorophenyl)propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 114871531
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide (CID 68797620) is N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide is CC[C@H](NC(=O)C1=CNCc2ccccc21)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide?
The InChIKey is AOGQYUJLQTYCJK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-2-18(13-7-5-8-15(20)10-13)22-19(23)17-12-21-11-14-6-3-4-9-16(14)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide?
N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)propyl]-1,2-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 68797620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).