N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H14BrClN2O — CID 103479340

IUPACN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H14BrClN2O/c17-15-12(18)4-1-5-14(15)20-16(21)11-6-7-13-10(9-11)3-2-8-19-13/h1,4-7,9,19H,2-3,8H2,(H,20,21)
InChIKeyHKFTYDBFSQHLNY-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.71
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 103479340) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID103479340
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H14BrClN2O/c17-15-12(18)4-1-5-14(15)20-16(21)11-6-7-13-10(9-11)3-2-8-19-13/h1,4-7,9,19H,2-3,8H2,(H,20,21)
InChIKeyHKFTYDBFSQHLNY-UHFFFAOYSA-N
XLogP4.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166234926
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554333
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 103479340) is N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(Nc1cccc(Cl)c1Br)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is HKFTYDBFSQHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-15-12(18)4-1-5-14(15)20-16(21)11-6-7-13-10(9-11)3-2-8-19-13/h1,4-7,9,19H,2-3,8H2,(H,20,21).
What are the key properties of N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 103479340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).