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

C18H17FN2O2 — CID 53147665

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-21-16(22)10-12-6-2-4-8-14(12)17(21)18(23)20-11-13-7-3-5-9-15(13)19/h2-9,17H,10-11H2,1H3,(H,20,23)
InChIKeyJBBTZXCDZIKYGE-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.20
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147665) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147665
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccccc1F
InChIInChI=1S/C18H17FN2O2/c1-21-16(22)10-12-6-2-4-8-14(12)17(21)18(23)20-11-13-7-3-5-9-15(13)19/h2-9,17H,10-11H2,1H3,(H,20,23)
InChIKeyJBBTZXCDZIKYGE-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096386
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096429
(1S)-N-[(4-methoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096417
(1R)-N-[(2,4-difluorophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096224
(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739766
(1R)-3-oxo-2-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4-dihydroisoquinoline-1-carboxamide
CID 95096232
(1S)-N-[(2-methylphenyl)methyl]-3-oxo-2-propan-2-yl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096340
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 75538264
(2S,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457672
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673
(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051142
N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147773

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 53147665) is N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CN1C(=O)Cc2ccccc2C1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is JBBTZXCDZIKYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21-16(22)10-12-6-2-4-8-14(12)17(21)18(23)20-11-13-7-3-5-9-15(13)19/h2-9,17H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).