(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate

C16H12Cl2FNO3 — CID 31864850

IUPAC(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2FNO3/c17-12-6-5-10(7-13(12)18)9-23-15(21)8-20-16(22)11-3-1-2-4-14(11)19/h1-7H,8-9H2,(H,20,22)
InChIKeyMJKSEMKFXSVJCJ-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.61
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate

(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 31864850) has the molecular formula C16H12Cl2FNO3 and a molecular weight of 356.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID31864850
Molecular FormulaC16H12Cl2FNO3
Molecular Weight356.18 g/mol
Exact Mass355.02
IUPAC Name(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1F)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2FNO3/c17-12-6-5-10(7-13(12)18)9-23-15(21)8-20-16(22)11-3-1-2-4-14(11)19/h1-7H,8-9H2,(H,20,22)
InChIKeyMJKSEMKFXSVJCJ-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2601985
(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 3496374
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4803693
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4802522
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 8635005
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
phenacyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2357812

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate (CID 31864850) is (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1F)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is MJKSEMKFXSVJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO3/c17-12-6-5-10(7-13(12)18)9-23-15(21)8-20-16(22)11-3-1-2-4-14(11)19/h1-7H,8-9H2,(H,20,22).
What are the key properties of (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate?
(3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 356.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 31864850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).