N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H17ClN2O — CID 104557980

IUPACN-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCNC3)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-5-6-16(15(18)9-11)20-17(21)14-4-2-3-12-10-19-8-7-13(12)14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyRGDNDYKFTCCHBJ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.55
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557980) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557980
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3c2CCNC3)c(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-11-5-6-16(15(18)9-11)20-17(21)14-4-2-3-12-10-19-8-7-13(12)14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21)
InChIKeyRGDNDYKFTCCHBJ-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide 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

N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455745
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
N-(5-chloro-2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558024
N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167985312
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557961
N-(5-bromo-2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558783
N-(4-chloro-3-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558127
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N-(2-chloro-4-methyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558700
N-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558148
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557980) is N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is Cc1ccc(NC(=O)c2cccc3c2CCNC3)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is RGDNDYKFTCCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-5-6-16(15(18)9-11)20-17(21)14-4-2-3-12-10-19-8-7-13(12)14/h2-6,9,19H,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).