N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C18H19BrN2O — CID 4818280

IUPACN-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C18H19BrN2O/c1-13(18(22)20-17-8-6-16(19)7-9-17)21-11-10-14-4-2-3-5-15(14)12-21/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyTXWPRJWVFBOWOE-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.83
Rot. Bonds3

About N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 4818280) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID4818280
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC NameN-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1)N1CCc2ccccc2C1
InChIInChI=1S/C18H19BrN2O/c1-13(18(22)20-17-8-6-16(19)7-9-17)21-11-10-14-4-2-3-5-15(14)12-21/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyTXWPRJWVFBOWOE-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)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
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)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136756966
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
methyl 5-bromo-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3774156
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248339
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 47020354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 4818280) is N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is CC(C(=O)Nc1ccc(Br)cc1)N1CCc2ccccc2C1.
What is the InChIKey of N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is TXWPRJWVFBOWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-13(18(22)20-17-8-6-16(19)7-9-17)21-11-10-14-4-2-3-5-15(14)12-21/h2-9,13H,10-12H2,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 359.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 4818280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).