methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

C16H12F3NO4 — CID 4963798

IUPACmethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H12F3NO4/c1-23-15(22)11-3-2-4-12(9-11)20-14(21)10-5-7-13(8-6-10)24-16(17,18)19/h2-9H,1H3,(H,20,21)
InChIKeyJWKUPDMPXOVEMD-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.62
Rot. Bonds4

About methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate

methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate (PubChem CID 4963798) has the molecular formula C16H12F3NO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
PubChem CID4963798
Molecular FormulaC16H12F3NO4
Molecular Weight339.27 g/mol
Exact Mass339.07
IUPAC Namemethyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H12F3NO4/c1-23-15(22)11-3-2-4-12(9-11)20-14(21)10-5-7-13(8-6-10)24-16(17,18)19/h2-9H,1H3,(H,20,21)
InChIKeyJWKUPDMPXOVEMD-UHFFFAOYSA-N
XLogP3.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(trifluoromethoxy)benzoyl]amino]benzoic acid;hydrochloride
CID 67278377
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 3-[(4-prop-2-enoxybenzoyl)amino]benzoate
CID 53285181
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
N-[3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide
CID 55797164
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
3-(methanesulfonamido)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 25342351
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate (CID 4963798) is methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate?
The InChIKey is JWKUPDMPXOVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4/c1-23-15(22)11-3-2-4-12(9-11)20-14(21)10-5-7-13(8-6-10)24-16(17,18)19/h2-9H,1H3,(H,20,21).
What are the key properties of methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate?
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate has a molecular weight of 339.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate is sourced from PubChem (CID 4963798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).