N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide

C20H20ClF2N3O2 — CID 43065952

IUPACN-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C20H20ClF2N3O2/c1-12-15(21)5-2-6-17(12)25-18(27)10-24-19(28)11-26-7-3-4-13-8-14(22)9-16(23)20(13)26/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyDNJAPWINGQCZPJ-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.43
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide (PubChem CID 43065952) has the molecular formula C20H20ClF2N3O2 and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
PubChem CID43065952
Molecular FormulaC20H20ClF2N3O2
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCc2cc(F)cc(F)c21
InChIInChI=1S/C20H20ClF2N3O2/c1-12-15(21)5-2-6-17(12)25-18(27)10-24-19(28)11-26-7-3-4-13-8-14(22)9-16(23)20(13)26/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,24,28)(H,25,27)
InChIKeyDNJAPWINGQCZPJ-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide with MolForge

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34009525
2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]acetamide
CID 24659733
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(3-phenylpropyl)acetamide
CID 43065858
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 34009418
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34010060
4-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37194189

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide (CID 43065952) is N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCc2cc(F)cc(F)c21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide?
The InChIKey is DNJAPWINGQCZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2N3O2/c1-12-15(21)5-2-6-17(12)25-18(27)10-24-19(28)11-26-7-3-4-13-8-14(22)9-16(23)20(13)26/h2,5-6,8-9H,3-4,7,10-11H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide has a molecular weight of 407.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 43065952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).