1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea

C14H13F2N3O3 — CID 51168686

IUPAC1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H13F2N3O3/c1-7-5-10(8(2)22-7)13(20)18-19-14(21)17-12-4-3-9(15)6-11(12)16/h3-6H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyHOXWKIAHXQTADJ-UHFFFAOYSA-N
MW309.27 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea

1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea (PubChem CID 51168686) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
PubChem CID51168686
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea
SMILESCc1cc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c(C)o1
InChIInChI=1S/C14H13F2N3O3/c1-7-5-10(8(2)22-7)13(20)18-19-14(21)17-12-4-3-9(15)6-11(12)16/h3-6H,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyHOXWKIAHXQTADJ-UHFFFAOYSA-N
XLogP2.64
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-[(2-hydroxybenzoyl)amino]urea
CID 51062877
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-(3,5-difluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 4808606
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
ethyl N-[(2,4-difluorophenyl)carbamoylamino]carbamate
CID 51178974
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N'-[3-(4-fluorophenyl)sulfonylpropanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468094
1-(2,4-difluorophenyl)-3-[(3-propan-2-yloxybenzoyl)amino]urea
CID 17265711

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea (CID 51168686) is 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea is Cc1cc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c(C)o1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea?
The InChIKey is HOXWKIAHXQTADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c1-7-5-10(8(2)22-7)13(20)18-19-14(21)17-12-4-3-9(15)6-11(12)16/h3-6H,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea?
1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea has a molecular weight of 309.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]urea is sourced from PubChem (CID 51168686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).