methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate

C18H14F4N2O4 — CID 60596590

IUPACmethyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F4N2O4/c1-28-15(25)9-23-16(26)10-2-5-12(6-3-10)24-17(27)11-4-7-14(19)13(8-11)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyHOZHXWUOTCRDDX-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.00
Rot. Bonds5

About methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate

methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate (PubChem CID 60596590) has the molecular formula C18H14F4N2O4 and a molecular weight of 398.31 g/mol. Its IUPAC name is methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
PubChem CID60596590
Molecular FormulaC18H14F4N2O4
Molecular Weight398.31 g/mol
Exact Mass398.09
IUPAC Namemethyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H14F4N2O4/c1-28-15(25)9-23-16(26)10-2-5-12(6-3-10)24-17(27)11-4-7-14(19)13(8-11)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)(H,24,27)
InChIKeyHOZHXWUOTCRDDX-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
methyl 2-[[4-[(4-iodobenzoyl)amino]benzoyl]amino]acetate
CID 46828278
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
methyl 2-[[4-[(2,5-dichlorobenzoyl)amino]benzoyl]amino]acetate
CID 46828283
methyl 2-[[4-[(2-bromo-5-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 46611840
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
methyl 2-[[4-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 34073469
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
methyl 3-[1-[4-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 60596692
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate (CID 60596590) is methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate?
The InChIKey is HOZHXWUOTCRDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O4/c1-28-15(25)9-23-16(26)10-2-5-12(6-3-10)24-17(27)11-4-7-14(19)13(8-11)18(20,21)22/h2-8H,9H2,1H3,(H,23,26)(H,24,27).
What are the key properties of methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate?
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate has a molecular weight of 398.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 60596590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).