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

C14H13FN4O4 — CID 51113394

IUPAC1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O4/c1-8-11(6-7-23-8)13(21)17-19-14(22)18-16-12(20)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,20)(H,17,21)(H2,18,19,22)
InChIKeyUYUSQIKEDOIBAE-UHFFFAOYSA-N
MW320.28 g/mol
LogP1.02
Rot. Bonds2

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

1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea (PubChem CID 51113394) has the molecular formula C14H13FN4O4 and a molecular weight of 320.28 g/mol. Its IUPAC name is 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
PubChem CID51113394
Molecular FormulaC14H13FN4O4
Molecular Weight320.28 g/mol
Exact Mass320.09
IUPAC Name1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
SMILESCc1occc1C(=O)NNC(=O)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN4O4/c1-8-11(6-7-23-8)13(21)17-19-14(22)18-16-12(20)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,20)(H,17,21)(H2,18,19,22)
InChIKeyUYUSQIKEDOIBAE-UHFFFAOYSA-N
XLogP1.02
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea 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',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-[2-chloro-5-[[(2-methylfuran-3-carbonyl)amino]carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 24536134
N'-(2-methylfuran-3-carbonyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carbohydrazide
CID 18104377
2,3-dimethyl-N'-(2-methylfuran-3-carbonyl)-1H-indole-5-carbohydrazide
CID 26849494
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
3-(4-fluorophenyl)-N'-(2-methylfuran-3-carbonyl)-2-sulfanylidene-1H-imidazole-4-carbohydrazide
CID 27172663
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylfuran-3-carboxamide
CID 110888799
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
CID 27171508
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
N-iodo-2-methylfuran-3-carboxamide
CID 170236265

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea (CID 51113394) is 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea is Cc1occc1C(=O)NNC(=O)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea?
The InChIKey is UYUSQIKEDOIBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O4/c1-8-11(6-7-23-8)13(21)17-19-14(22)18-16-12(20)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,16,20)(H,17,21)(H2,18,19,22).
What are the key properties of 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea?
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea has a molecular weight of 320.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 51113394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).