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

C17H15ClFN3O2 — CID 11530352

IUPAC2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H15ClFN3O2/c18-14-8-11(19)4-6-13(14)16(23)22-17(24)21-12-5-3-10-2-1-7-20-15(10)9-12/h3-6,8-9,20H,1-2,7H2,(H2,21,22,23,24)
InChIKeyXGMNIMNOWWRWSJ-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.80
Rot. Bonds2

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

2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide (PubChem CID 11530352) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
PubChem CID11530352
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Name2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc2c(c1)NCCC2
InChIInChI=1S/C17H15ClFN3O2/c18-14-8-11(19)4-6-13(14)16(23)22-17(24)21-12-5-3-10-2-1-7-20-15(10)9-12/h3-6,8-9,20H,1-2,7H2,(H2,21,22,23,24)
InChIKeyXGMNIMNOWWRWSJ-UHFFFAOYSA-N
XLogP3.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233
1-(4-chlorophenyl)-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 63928941
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
CID 11681381
5-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-2-carboxamide
CID 104639273
3-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 82877814
2,4-dichloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 63283086
2,6-dichloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930601
2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
3,4-difluoro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63928507
2-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 63930393
1-benzyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)urea
CID 107654114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide (CID 11530352) is 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide is O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc2c(c1)NCCC2.
What is the InChIKey of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide?
The InChIKey is XGMNIMNOWWRWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c18-14-8-11(19)4-6-13(14)16(23)22-17(24)21-12-5-3-10-2-1-7-20-15(10)9-12/h3-6,8-9,20H,1-2,7H2,(H2,21,22,23,24).
What are the key properties of 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide?
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide has a molecular weight of 347.78 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide is sourced from PubChem (CID 11530352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).