methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate

C21H18N2O5 — CID 17178254

IUPACmethyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c1-27-21(26)15-10-8-14(9-11-15)19(24)23-18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRLKGNYWAJOUTCA-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.25
Rot. Bonds6

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

methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate (PubChem CID 17178254) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
PubChem CID17178254
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Namemethyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H18N2O5/c1-27-21(26)15-10-8-14(9-11-15)19(24)23-18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRLKGNYWAJOUTCA-UHFFFAOYSA-N
XLogP3.25
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 34657042
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
CID 19398212
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
3-chloro-4-ethoxy-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 100711529
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685
4-N-(2-tert-butylphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046595
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate (CID 17178254) is methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate?
The InChIKey is RLKGNYWAJOUTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-21(26)15-10-8-14(9-11-15)19(24)23-18-7-3-2-6-17(18)20(25)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate?
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate has a molecular weight of 378.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17178254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).