(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone

C16H11BrClF2NO — CID 155093112

IUPAC(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(F)(F)c2cc(Br)ccc21
InChIInChI=1S/C16H11BrClF2NO/c17-11-4-5-14-13(9-11)16(19,20)6-7-21(14)15(22)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7H2
InChIKeyNBBZGMFJLDFMHK-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.24
Rot. Bonds1

About (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone

(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 155093112) has the molecular formula C16H11BrClF2NO and a molecular weight of 386.62 g/mol. Its IUPAC name is (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone
PubChem CID155093112
Molecular FormulaC16H11BrClF2NO
Molecular Weight386.62 g/mol
Exact Mass384.97
IUPAC Name(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(F)(F)c2cc(Br)ccc21
InChIInChI=1S/C16H11BrClF2NO/c17-11-4-5-14-13(9-11)16(19,20)6-7-21(14)15(22)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7H2
InChIKeyNBBZGMFJLDFMHK-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
1-(3-Bromobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 789110
(3-chlorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 722333
(4-bromophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 732401
1-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 720112
N-(4-bromo-2-methylphenyl)-3-chlorobenzamide
CID 798975
(3-Bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 1358766
(4-chloro-2,3-difluorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 1081716
N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide
CID 1209929
3-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 1326348
1-(5-Bromo-2-chlorobenzoyl)-4-(4-fluorophenyl)piperazine
CID 2203709
(5-Bromo-2-chlorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2931595

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone (CID 155093112) is (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCC(F)(F)c2cc(Br)ccc21.
What is the InChIKey of (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is NBBZGMFJLDFMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF2NO/c17-11-4-5-14-13(9-11)16(19,20)6-7-21(14)15(22)10-2-1-3-12(18)8-10/h1-5,8-9H,6-7H2.
What are the key properties of (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone?
(6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 386.62 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4,4-difluoro-2,3-dihydroquinolin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 155093112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).