[3-(benzylcarbamoyl)furan-2-yl]carbamic acid

C13H12N2O4 — CID 91177862

IUPAC[3-(benzylcarbamoyl)furan-2-yl]carbamic acid
SMILESO=C(O)Nc1occc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11(14-8-9-4-2-1-3-5-9)10-6-7-19-12(10)15-13(17)18/h1-7,15H,8H2,(H,14,16)(H,17,18)
InChIKeySWPVFOJAXPYWEP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.30
Rot. Bonds4

About [3-(benzylcarbamoyl)furan-2-yl]carbamic acid

[3-(benzylcarbamoyl)furan-2-yl]carbamic acid (PubChem CID 91177862) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is [3-(benzylcarbamoyl)furan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-(benzylcarbamoyl)furan-2-yl]carbamic acid
PubChem CID91177862
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name[3-(benzylcarbamoyl)furan-2-yl]carbamic acid
SMILESO=C(O)Nc1occc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11(14-8-9-4-2-1-3-5-9)10-6-7-19-12(10)15-13(17)18/h1-7,15H,8H2,(H,14,16)(H,17,18)
InChIKeySWPVFOJAXPYWEP-UHFFFAOYSA-N
XLogP2.30
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-(benzylcarbamoyl)furan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
N-benzyl-7-selenabicyclo[4.1.0]hepta-1,3,5-triene-2-carboxamide
CID 88509492
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
CID 107231304
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
N-benzyl-2-(phenylcarbamoylamino)benzamide
CID 895604
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
N-benzyl-2-methylsulfanylbenzamide
CID 966900

Frequently Asked Questions

What is the IUPAC name of [3-(benzylcarbamoyl)furan-2-yl]carbamic acid?
The IUPAC name of [3-(benzylcarbamoyl)furan-2-yl]carbamic acid (CID 91177862) is [3-(benzylcarbamoyl)furan-2-yl]carbamic acid.
What is the SMILES notation for [3-(benzylcarbamoyl)furan-2-yl]carbamic acid?
The canonical SMILES for [3-(benzylcarbamoyl)furan-2-yl]carbamic acid is O=C(O)Nc1occc1C(=O)NCc1ccccc1.
What is the InChIKey of [3-(benzylcarbamoyl)furan-2-yl]carbamic acid?
The InChIKey is SWPVFOJAXPYWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11(14-8-9-4-2-1-3-5-9)10-6-7-19-12(10)15-13(17)18/h1-7,15H,8H2,(H,14,16)(H,17,18).
What are the key properties of [3-(benzylcarbamoyl)furan-2-yl]carbamic acid?
[3-(benzylcarbamoyl)furan-2-yl]carbamic acid has a molecular weight of 260.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylcarbamoyl)furan-2-yl]carbamic acid is sourced from PubChem (CID 91177862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).