2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

C16H14Cl2N2O — CID 63283086

IUPAC2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-3-5-13(14(18)9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h3-6,8-9,19H,1-2,7H2,(H,20,21)
InChIKeyDGSRTRFPYYCRLR-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.60
Rot. Bonds2

About 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (PubChem CID 63283086) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
PubChem CID63283086
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c17-11-3-5-13(14(18)9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h3-6,8-9,19H,1-2,7H2,(H,20,21)
InChIKeyDGSRTRFPYYCRLR-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
4-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283394
5-chloro-2-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283438
2-bromo-5-chloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 103806053
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
2,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547274
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 107939898
5-bromo-2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 65311484
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2,5-difluorobenzamide
CID 82771926
2,4-dimethoxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide;hydrochloride
CID 119547243
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 122618794

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (CID 63283086) is 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is O=C(Nc1ccc2c(c1)CCCN2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is DGSRTRFPYYCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-11-3-5-13(14(18)9-11)16(21)20-12-4-6-15-10(8-12)2-1-7-19-15/h3-6,8-9,19H,1-2,7H2,(H,20,21).
What are the key properties of 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide has a molecular weight of 321.21 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 63283086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).