methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate

C15H12F2N2O3 — CID 108992340

IUPACmethyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-14(20)10-4-2-3-5-13(10)19-15(21)18-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H2,18,19,21)
InChIKeyAHHMFWGTAJVIRA-UHFFFAOYSA-N
MW306.27 g/mol
LogP3.40
Rot. Bonds3

About methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate

methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate (PubChem CID 108992340) has the molecular formula C15H12F2N2O3 and a molecular weight of 306.27 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
PubChem CID108992340
Molecular FormulaC15H12F2N2O3
Molecular Weight306.27 g/mol
Exact Mass306.08
IUPAC Namemethyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F2N2O3/c1-22-14(20)10-4-2-3-5-13(10)19-15(21)18-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H2,18,19,21)
InChIKeyAHHMFWGTAJVIRA-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(3,4-difluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108987505
methyl 2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37471968
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108512480
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
methyl 3-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-methylbenzoate
CID 34075159
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate (CID 108992340) is methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate?
The InChIKey is AHHMFWGTAJVIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3/c1-22-14(20)10-4-2-3-5-13(10)19-15(21)18-9-6-7-11(16)12(17)8-9/h2-8H,1H3,(H2,18,19,21).
What are the key properties of methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate?
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate has a molecular weight of 306.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).