3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide

C16H14ClFN2O — CID 82877814

IUPAC3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O/c17-13-8-11(4-6-14(13)18)16(21)20-12-5-3-10-2-1-7-19-15(10)9-12/h3-6,8-9,19H,1-2,7H2,(H,20,21)
InChIKeyBZRXCCVQCCKAEO-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.09
Rot. Bonds2

About 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide

3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide (PubChem CID 82877814) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
PubChem CID82877814
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O/c17-13-8-11(4-6-14(13)18)16(21)20-12-5-3-10-2-1-7-19-15(10)9-12/h3-6,8-9,19H,1-2,7H2,(H,20,21)
InChIKeyBZRXCCVQCCKAEO-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide 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

3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide (CID 82877814) is 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The InChIKey is BZRXCCVQCCKAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c17-13-8-11(4-6-14(13)18)16(21)20-12-5-3-10-2-1-7-19-15(10)9-12/h3-6,8-9,19H,1-2,7H2,(H,20,21).
What are the key properties of 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide has a molecular weight of 304.75 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide is sourced from PubChem (CID 82877814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).