1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea

C13H12N4O5 — CID 3752463

IUPAC1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea
SMILESCc1occc1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O5/c1-8-11(6-7-22-8)12(18)15-16-13(19)14-9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,15,18)(H2,14,16,19)
InChIKeyFUOQNMUOYWZNQP-UHFFFAOYSA-N
MW304.26 g/mol
LogP1.96
Rot. Bonds3

About 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea

1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea (PubChem CID 3752463) has the molecular formula C13H12N4O5 and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea
PubChem CID3752463
Molecular FormulaC13H12N4O5
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea
SMILESCc1occc1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O5/c1-8-11(6-7-22-8)12(18)15-16-13(19)14-9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,15,18)(H2,14,16,19)
InChIKeyFUOQNMUOYWZNQP-UHFFFAOYSA-N
XLogP1.96
TPSA126.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea?
The IUPAC name of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea (CID 3752463) is 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea is Cc1occc1C(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea?
The InChIKey is FUOQNMUOYWZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5/c1-8-11(6-7-22-8)12(18)15-16-13(19)14-9-2-4-10(5-3-9)17(20)21/h2-7H,1H3,(H,15,18)(H2,14,16,19).
What are the key properties of 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea?
1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea has a molecular weight of 304.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylfuran-3-carbonyl)amino]-3-(4-nitrophenyl)urea is sourced from PubChem (CID 3752463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).