dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate

C18H14F3NO5 — CID 4810797

IUPACdimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H14F3NO5/c1-26-16(24)11-7-12(17(25)27-2)9-14(8-11)22-15(23)10-3-5-13(6-4-10)18(19,20)21/h3-9H,1-2H3,(H,22,23)
InChIKeyANZWVMIKPBDJEI-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.53
Rot. Bonds4

About dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate (PubChem CID 4810797) has the molecular formula C18H14F3NO5 and a molecular weight of 381.31 g/mol. Its IUPAC name is dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
PubChem CID4810797
Molecular FormulaC18H14F3NO5
Molecular Weight381.31 g/mol
Exact Mass381.08
IUPAC Namedimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)OC)c1
InChIInChI=1S/C18H14F3NO5/c1-26-16(24)11-7-12(17(25)27-2)9-14(8-11)22-15(23)10-3-5-13(6-4-10)18(19,20)21/h3-9H,1-2H3,(H,22,23)
InChIKeyANZWVMIKPBDJEI-UHFFFAOYSA-N
XLogP3.53
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
dimethyl 5-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]benzene-1,3-dicarboxylate
CID 3282636
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 23150017
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate (CID 4810797) is dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is ANZWVMIKPBDJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO5/c1-26-16(24)11-7-12(17(25)27-2)9-14(8-11)22-15(23)10-3-5-13(6-4-10)18(19,20)21/h3-9H,1-2H3,(H,22,23).
What are the key properties of dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 381.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 4810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).