2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide

C19H17F3N2O2 — CID 55732235

IUPAC2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCc2ccc(F)cc21)c1ccc(F)cc1F
InChIInChI=1S/C19H17F3N2O2/c20-13-5-6-15(16(22)10-13)19(26)23-8-7-18(25)24-9-1-2-12-3-4-14(21)11-17(12)24/h3-6,10-11H,1-2,7-9H2,(H,23,26)
InChIKeyBKPORTBIWGEMMX-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.20
Rot. Bonds4

About 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide

2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide (PubChem CID 55732235) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
PubChem CID55732235
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide
SMILESO=C(NCCC(=O)N1CCCc2ccc(F)cc21)c1ccc(F)cc1F
InChIInChI=1S/C19H17F3N2O2/c20-13-5-6-15(16(22)10-13)19(26)23-8-7-18(25)24-9-1-2-12-3-4-14(21)11-17(12)24/h3-6,10-11H,1-2,7-9H2,(H,23,26)
InChIKeyBKPORTBIWGEMMX-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 29406171
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
N-[4-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 29493687
2,4-difluoro-N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]benzamide
CID 43047733
2,4-difluoro-N-[1-(2-methoxyacetyl)-2,3-dihydroindol-6-yl]benzamide
CID 142343952
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide (CID 55732235) is 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide is O=C(NCCC(=O)N1CCCc2ccc(F)cc21)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide?
The InChIKey is BKPORTBIWGEMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-13-5-6-15(16(22)10-13)19(26)23-8-7-18(25)24-9-1-2-12-3-4-14(21)11-17(12)24/h3-6,10-11H,1-2,7-9H2,(H,23,26).
What are the key properties of 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 55732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).