[4-(furan-2-carbonylamino)phenyl]carbamic acid

C12H10N2O4 — CID 18543126

IUPAC[4-(furan-2-carbonylamino)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C12H10N2O4/c15-11(10-2-1-7-18-10)13-8-3-5-9(6-4-8)14-12(16)17/h1-7,14H,(H,13,15)(H,16,17)
InChIKeyVWYCWXVWWJURNT-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.62
Rot. Bonds3

About [4-(furan-2-carbonylamino)phenyl]carbamic acid

[4-(furan-2-carbonylamino)phenyl]carbamic acid (PubChem CID 18543126) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is [4-(furan-2-carbonylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(furan-2-carbonylamino)phenyl]carbamic acid
PubChem CID18543126
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name[4-(furan-2-carbonylamino)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C12H10N2O4/c15-11(10-2-1-7-18-10)13-8-3-5-9(6-4-8)14-12(16)17/h1-7,14H,(H,13,15)(H,16,17)
InChIKeyVWYCWXVWWJURNT-UHFFFAOYSA-N
XLogP2.62
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110917647
N-[4-(2-phenylethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 38205482
N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1273131

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonylamino)phenyl]carbamic acid?
The IUPAC name of [4-(furan-2-carbonylamino)phenyl]carbamic acid (CID 18543126) is [4-(furan-2-carbonylamino)phenyl]carbamic acid.
What is the SMILES notation for [4-(furan-2-carbonylamino)phenyl]carbamic acid?
The canonical SMILES for [4-(furan-2-carbonylamino)phenyl]carbamic acid is O=C(O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [4-(furan-2-carbonylamino)phenyl]carbamic acid?
The InChIKey is VWYCWXVWWJURNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11(10-2-1-7-18-10)13-8-3-5-9(6-4-8)14-12(16)17/h1-7,14H,(H,13,15)(H,16,17).
What are the key properties of [4-(furan-2-carbonylamino)phenyl]carbamic acid?
[4-(furan-2-carbonylamino)phenyl]carbamic acid has a molecular weight of 246.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonylamino)phenyl]carbamic acid is sourced from PubChem (CID 18543126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).