3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

C16H14BrClN2O — CID 107939898

IUPAC3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h3-4,6-9,19H,1-2,5H2,(H,20,21)
InChIKeyBRKUHKMZQAHJEE-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.71
Rot. Bonds2

About 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (PubChem CID 107939898) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
PubChem CID107939898
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h3-4,6-9,19H,1-2,5H2,(H,20,21)
InChIKeyBRKUHKMZQAHJEE-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

5-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 63282312
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
3-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 55169715
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
N-(2,3-dihydro-1H-indol-5-yl)-3,4,5-trifluorobenzamide
CID 63252893
N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,2-oxazole-5-carboxamide
CID 63282573
5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (CID 107939898) is 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is O=C(Nc1ccc2c(c1)CCCN2)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is BRKUHKMZQAHJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-12-6-11(7-13(18)9-12)16(21)20-14-3-4-15-10(8-14)2-1-5-19-15/h3-4,6-9,19H,1-2,5H2,(H,20,21).
What are the key properties of 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide 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 3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 107939898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).