[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate

C18H14Cl2F2N2O4 — CID 55375937

IUPAC[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2F2N2O4/c1-9(17(26)24-14-4-2-3-12(19)16(14)20)28-15(25)8-23-18(27)11-6-5-10(21)7-13(11)22/h2-7,9H,8H2,1H3,(H,23,27)(H,24,26)
InChIKeyCVTPVPWDZIAWOY-UHFFFAOYSA-N
MW431.22 g/mol
LogP3.57
Rot. Bonds6

About [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate (PubChem CID 55375937) has the molecular formula C18H14Cl2F2N2O4 and a molecular weight of 431.22 g/mol. Its IUPAC name is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
PubChem CID55375937
Molecular FormulaC18H14Cl2F2N2O4
Molecular Weight431.22 g/mol
Exact Mass430.03
IUPAC Name[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl2F2N2O4/c1-9(17(26)24-14-4-2-3-12(19)16(14)20)28-15(25)8-23-18(27)11-6-5-10(21)7-13(11)22/h2-7,9H,8H2,1H3,(H,23,27)(H,24,26)
InChIKeyCVTPVPWDZIAWOY-UHFFFAOYSA-N
XLogP3.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.22
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55375856
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55376022
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882159
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602043
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735984
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 9307857
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2433202
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 2435272
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
CID 18208940
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662703
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 7767167
N-(2,3-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 55387332

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The IUPAC name of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate (CID 55375937) is [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The canonical SMILES for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The InChIKey is CVTPVPWDZIAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N2O4/c1-9(17(26)24-14-4-2-3-12(19)16(14)20)28-15(25)8-23-18(27)11-6-5-10(21)7-13(11)22/h2-7,9H,8H2,1H3,(H,23,27)(H,24,26).
What are the key properties of [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate has a molecular weight of 431.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 55375937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).