N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide

C18H19ClN2O — CID 138504168

IUPACN-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NN2CCc3cc(Cl)ccc3C2)cc1
InChIInChI=1S/C18H19ClN2O/c1-2-13-3-5-14(6-4-13)18(22)20-21-10-9-15-11-17(19)8-7-16(15)12-21/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyWZFQONGSUCPPKZ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.61
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide

N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide (PubChem CID 138504168) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide
PubChem CID138504168
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NN2CCc3cc(Cl)ccc3C2)cc1
InChIInChI=1S/C18H19ClN2O/c1-2-13-3-5-14(6-4-13)18(22)20-21-10-9-15-11-17(19)8-7-16(15)12-21/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyWZFQONGSUCPPKZ-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
N-[[4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]acetamide
CID 166719135
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-[(2,5-diethylphenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 100719664
2-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)acetic acid
CID 84786847
3-[[4-[1-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-chlorophenyl)-1-oxohexan-3-yl]benzoyl]amino]propanoic acid
CID 46871385
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
4-butyl-N-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)benzamide
CID 10803158
4-[(6-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022690
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide (CID 138504168) is N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide is CCc1ccc(C(=O)NN2CCc3cc(Cl)ccc3C2)cc1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide?
The InChIKey is WZFQONGSUCPPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-2-13-3-5-14(6-4-13)18(22)20-21-10-9-15-11-17(19)8-7-16(15)12-21/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide?
N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide has a molecular weight of 314.82 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylbenzamide is sourced from PubChem (CID 138504168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).