(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide

C19H21FN2O — CID 9248397

IUPAC(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1F
InChIInChI=1S/C19H21FN2O/c1-13-7-8-17(11-18(13)20)21-19(23)14(2)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyVCGQQHYOPOUWCY-AWEZNQCLSA-N
MW312.39 g/mol
LogP3.52
Rot. Bonds3

About (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide (PubChem CID 9248397) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
PubChem CID9248397
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1F
InChIInChI=1S/C19H21FN2O/c1-13-7-8-17(11-18(13)20)21-19(23)14(2)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyVCGQQHYOPOUWCY-AWEZNQCLSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-2-hydroxybenzoic acid
CID 136557404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17449931
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248339
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 7525893
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide (CID 9248397) is (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1F.
What is the InChIKey of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
The InChIKey is VCGQQHYOPOUWCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-7-8-17(11-18(13)20)21-19(23)14(2)22-10-9-15-5-3-4-6-16(15)12-22/h3-8,11,14H,9-10,12H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide?
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide has a molecular weight of 312.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 9248397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).