methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate

C17H16N2O4 — CID 108992262

IUPACmethyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)12-7-9-13(10-8-12)18-17(22)19-15-6-4-3-5-14(15)16(21)23-2/h3-10H,1-2H3,(H2,18,19,22)
InChIKeyFWFHIYCFCDARLA-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.32
Rot. Bonds4

About methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate

methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate (PubChem CID 108992262) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
PubChem CID108992262
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)12-7-9-13(10-8-12)18-17(22)19-15-6-4-3-5-14(15)16(21)23-2/h3-10H,1-2H3,(H2,18,19,22)
InChIKeyFWFHIYCFCDARLA-UHFFFAOYSA-N
XLogP3.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340
1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 2-(4-acetamidoanilino)benzoate
CID 112988409
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
methyl 2-[[3-(4-methoxycarbonylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969825
methyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991935
1-(4-acetylphenyl)-3-(2-propanoylphenyl)urea;1,3-bis(2-acetylphenyl)propan-2-one
CID 158834589
methyl 2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]benzoate
CID 108992322
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate (CID 108992262) is methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate?
The InChIKey is FWFHIYCFCDARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)12-7-9-13(10-8-12)18-17(22)19-15-6-4-3-5-14(15)16(21)23-2/h3-10H,1-2H3,(H2,18,19,22).
What are the key properties of methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate?
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate has a molecular weight of 312.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate is sourced from PubChem (CID 108992262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).