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

C16H14F2N2O — CID 63928507

IUPAC3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O/c17-13-6-4-11(8-14(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)
InChIKeyNGOMZMHWFSZIET-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.58
Rot. Bonds2

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

3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide (PubChem CID 63928507) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
PubChem CID63928507
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14F2N2O/c17-13-6-4-11(8-14(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)
InChIKeyNGOMZMHWFSZIET-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrimidine-5-carboxamide
CID 102922274
methyl 4-(1,2,3,4-tetrahydroquinoline-7-carbonylamino)benzoate
CID 69110343
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-3-carboxamide
CID 103807021
5-bromo-N-(1,2,3,4-tetrahydroquinolin-7-yl)furan-3-carboxamide
CID 86780001
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
1,5-dimethyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2-carboxamide
CID 63928927
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
5-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-carboxamide
CID 63929153

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide (CID 63928507) is 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide is O=C(Nc1ccc2c(c1)NCCC2)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
The InChIKey is NGOMZMHWFSZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-6-4-11(8-14(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 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide?
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide has a molecular weight of 288.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide is sourced from PubChem (CID 63928507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).