1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea

C20H14ClN3O3 — CID 3827955

IUPAC1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1ccc(C#Cc2ccccc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O3/c21-15-7-9-16(10-8-15)22-20(26)24-23-19(25)18-13-12-17(27-18)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,(H,23,25)(H2,22,24,26)
InChIKeyUODJRPLSBVWZSP-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.80
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea

1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea (PubChem CID 3827955) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
PubChem CID3827955
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea
SMILESO=C(NNC(=O)c1ccc(C#Cc2ccccc2)o1)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O3/c21-15-7-9-16(10-8-15)22-20(26)24-23-19(25)18-13-12-17(27-18)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,(H,23,25)(H2,22,24,26)
InChIKeyUODJRPLSBVWZSP-UHFFFAOYSA-N
XLogP3.80
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-3-(4-chlorophenyl)urea
CID 4167003
N-(4-chlorophenyl)-5-(2-phenylethynyl)pyridine-3-carboxamide
CID 2822311
N-[4-[[(4-chlorophenyl)carbamoylamino]carbamoyl]phenyl]acetamide
CID 910323
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chlorophenyl)-3-[(2-hydroxy-2,2-diphenylacetyl)amino]urea
CID 4130294
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
1-[(2-chlorobenzoyl)amino]-3-phenylurea
CID 904342
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
1-(4-chlorophenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 3309712
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825
1-(4-chlorophenyl)-3-(N-phenylanilino)urea
CID 4149546
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea (CID 3827955) is 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea is O=C(NNC(=O)c1ccc(C#Cc2ccccc2)o1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea?
The InChIKey is UODJRPLSBVWZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-15-7-9-16(10-8-15)22-20(26)24-23-19(25)18-13-12-17(27-18)11-6-14-4-2-1-3-5-14/h1-5,7-10,12-13H,(H,23,25)(H2,22,24,26).
What are the key properties of 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea?
1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea has a molecular weight of 379.80 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]urea is sourced from PubChem (CID 3827955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).