(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate

C16H12Cl2FNO3 — CID 8662771

IUPAC(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2FNO3/c17-13-5-2-6-14(18)12(13)9-23-15(21)8-20-16(22)10-3-1-4-11(19)7-10/h1-7H,8-9H2,(H,20,22)
InChIKeyILDIRQBAPUWYAP-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.61
Rot. Bonds5

About (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate

(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 8662771) has the molecular formula C16H12Cl2FNO3 and a molecular weight of 356.18 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID8662771
Molecular FormulaC16H12Cl2FNO3
Molecular Weight356.18 g/mol
Exact Mass355.02
IUPAC Name(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(F)c1)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2FNO3/c17-13-5-2-6-14(18)12(13)9-23-15(21)8-20-16(22)10-3-1-4-11(19)7-10/h1-7H,8-9H2,(H,20,22)
InChIKeyILDIRQBAPUWYAP-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

(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
(4-bromo-2-fluorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662567
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 16526665
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788560
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 35929184
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8521617
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate (CID 8662771) is (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(F)c1)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is ILDIRQBAPUWYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO3/c17-13-5-2-6-14(18)12(13)9-23-15(21)8-20-16(22)10-3-1-4-11(19)7-10/h1-7H,8-9H2,(H,20,22).
What are the key properties of (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate?
(2,6-dichlorophenyl)methyl 2-[(3-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 (2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 8662771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).