[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C17H14Cl2FNO3 — CID 34182625

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1F
InChIInChI=1S/C17H14Cl2FNO3/c18-13-5-3-6-14(19)12(13)8-17(23)24-10-16(22)21-9-11-4-1-2-7-15(11)20/h1-7H,8-10H2,(H,21,22)
InChIKeyHKKSBTGZODYPTF-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.53
Rot. Bonds6

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 34182625) has the molecular formula C17H14Cl2FNO3 and a molecular weight of 370.21 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID34182625
Molecular FormulaC17H14Cl2FNO3
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1F
InChIInChI=1S/C17H14Cl2FNO3/c18-13-5-3-6-14(19)12(13)8-17(23)24-10-16(22)21-9-11-4-1-2-7-15(11)20/h1-7H,8-10H2,(H,21,22)
InChIKeyHKKSBTGZODYPTF-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9202810
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613260
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355331
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201290
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-(methylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 8001276
methyl 4-[[[2-[2-(2,6-dichlorophenyl)acetyl]oxyacetyl]amino]methyl]benzoate
CID 8013614
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-chloro-5-fluoro-4-hydroxybenzoate
CID 99799793
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 34182625) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is O=C(COC(=O)Cc1c(Cl)cccc1Cl)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is HKKSBTGZODYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO3/c18-13-5-3-6-14(19)12(13)8-17(23)24-10-16(22)21-9-11-4-1-2-7-15(11)20/h1-7H,8-10H2,(H,21,22).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 370.21 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 34182625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).