2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

C18H17ClF2N2O2 — CID 113172371

IUPAC2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(14-6-7-17(21)15(19)10-14)11-18(25)22-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyRGXMZGMTSXFBNJ-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.33
Rot. Bonds6

About 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113172371) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113172371
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C18H17ClF2N2O2/c1-12(24)23(14-6-7-17(21)15(19)10-14)11-18(25)22-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)
InChIKeyRGXMZGMTSXFBNJ-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-tert-butylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113170589
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113124504
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
methyl 2-[acetyl-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176077
2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113172371) is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccccc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is RGXMZGMTSXFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-12(24)23(14-6-7-17(21)15(19)10-14)11-18(25)22-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 366.80 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113172371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).