methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate

C17H16N2O4 — CID 17178306

IUPACmethyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16N2O4/c1-18-16(21)13-5-3-4-6-14(13)19-15(20)11-7-9-12(10-8-11)17(22)23-2/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyBADTXUNGAQKVHF-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.09
Rot. Bonds4

About methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate

methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17178306) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17178306
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C17H16N2O4/c1-18-16(21)13-5-3-4-6-14(13)19-15(20)11-7-9-12(10-8-11)17(22)23-2/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyBADTXUNGAQKVHF-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl 4-[[2-(phenylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178462
N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
methyl 4-[[2-(tert-butylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178571
methyl 2-[[4-(1-bromoethyl)benzoyl]amino]benzoate
CID 21244031
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17178306) is methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate is CNC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is BADTXUNGAQKVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-18-16(21)13-5-3-4-6-14(13)19-15(20)11-7-9-12(10-8-11)17(22)23-2/h3-10H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 312.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17178306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).