(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

C18H15Cl2FN2O4 — CID 8635005

IUPAC(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)OCc1cccc(F)c1
InChIInChI=1S/C18H15Cl2FN2O4/c19-12-4-5-14(15(20)7-12)18(26)23-8-16(24)22-9-17(25)27-10-11-2-1-3-13(21)6-11/h1-7H,8-10H2,(H,22,24)(H,23,26)
InChIKeyFJKJTBOWSRMPSS-UHFFFAOYSA-N
MW413.23 g/mol
LogP2.72
Rot. Bonds7

About (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate

(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (PubChem CID 8635005) has the molecular formula C18H15Cl2FN2O4 and a molecular weight of 413.23 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
PubChem CID8635005
Molecular FormulaC18H15Cl2FN2O4
Molecular Weight413.23 g/mol
Exact Mass412.04
IUPAC Name(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)OCc1cccc(F)c1
InChIInChI=1S/C18H15Cl2FN2O4/c19-12-4-5-14(15(20)7-12)18(26)23-8-16(24)22-9-17(25)27-10-11-2-1-3-13(21)6-11/h1-7H,8-10H2,(H,22,24)(H,23,26)
InChIKeyFJKJTBOWSRMPSS-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate with MolForge

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Related Compounds

benzyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 27711239
(3-fluorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 2221739
(4-propan-2-ylphenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 22830639
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
methyl 5-[[2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetyl]oxymethyl]furan-2-carboxylate
CID 29390529
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 16589137
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate
CID 55399586
2,4-dichloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4131259

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate (CID 8635005) is (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)OCc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
The InChIKey is FJKJTBOWSRMPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O4/c19-12-4-5-14(15(20)7-12)18(26)23-8-16(24)22-9-17(25)27-10-11-2-1-3-13(21)6-11/h1-7H,8-10H2,(H,22,24)(H,23,26).
What are the key properties of (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate?
(3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate has a molecular weight of 413.23 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2-[[2-[(2,4-dichlorobenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 8635005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).