1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea

C17H12ClFN4O — CID 110492610

IUPAC1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
SMILESO=C(Nc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cnccn1
InChIInChI=1S/C17H12ClFN4O/c18-14-9-12(3-6-15(14)19)11-1-4-13(5-2-11)22-17(24)23-16-10-20-7-8-21-16/h1-10H,(H2,21,22,23,24)
InChIKeyDQCGXEJEYVVZNJ-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.58
Rot. Bonds3

About 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea

1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea (PubChem CID 110492610) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
PubChem CID110492610
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea
SMILESO=C(Nc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cnccn1
InChIInChI=1S/C17H12ClFN4O/c18-14-9-12(3-6-15(14)19)11-1-4-13(5-2-11)22-17(24)23-16-10-20-7-8-21-16/h1-10H,(H2,21,22,23,24)
InChIKeyDQCGXEJEYVVZNJ-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea 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-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
2-hydroxy-4-(pyrazin-2-ylcarbamoylamino)benzoic acid
CID 110492352
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea (CID 110492610) is 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea is O=C(Nc1ccc(-c2ccc(F)c(Cl)c2)cc1)Nc1cnccn1.
What is the InChIKey of 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea?
The InChIKey is DQCGXEJEYVVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-14-9-12(3-6-15(14)19)11-1-4-13(5-2-11)22-17(24)23-16-10-20-7-8-21-16/h1-10H,(H2,21,22,23,24).
What are the key properties of 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea?
1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea has a molecular weight of 342.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).