1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea

C21H20N4O4 — CID 34999919

IUPAC1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C21H20N4O4/c1-13-12-18(14(2)29-13)20(27)25-24-19(26)15-8-10-17(11-9-15)23-21(28)22-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,26)(H,25,27)(H2,22,23,28)
InChIKeyIMTVLCHYZHMWGA-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea

1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea (PubChem CID 34999919) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
PubChem CID34999919
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
SMILESCc1cc(C(=O)NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C21H20N4O4/c1-13-12-18(14(2)29-13)20(27)25-24-19(26)15-8-10-17(11-9-15)23-21(28)22-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,26)(H,25,27)(H2,22,23,28)
InChIKeyIMTVLCHYZHMWGA-UHFFFAOYSA-N
XLogP3.62
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]acetamide
CID 7808968
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-(2-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715708
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
N-[3-[1-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2594236
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
CID 55619007
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea (CID 34999919) is 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea is Cc1cc(C(=O)NNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)o1.
What is the InChIKey of 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea?
The InChIKey is IMTVLCHYZHMWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-12-18(14(2)29-13)20(27)25-24-19(26)15-8-10-17(11-9-15)23-21(28)22-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,24,26)(H,25,27)(H2,22,23,28).
What are the key properties of 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea?
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea has a molecular weight of 392.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 34999919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).