1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea

C19H12ClFN4O — CID 87528413

IUPAC1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea
SMILESN#Cc1c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)ccnc1Cl
InChIInChI=1S/C19H12ClFN4O/c20-18-17(11-22)16(8-9-23-18)12-4-6-14(7-5-12)24-19(26)25-15-3-1-2-13(21)10-15/h1-10H,(H2,24,25,26)
InChIKeySVNBYDOLQNFIQT-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.06
Rot. Bonds3

About 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea

1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea (PubChem CID 87528413) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea
PubChem CID87528413
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea
SMILESN#Cc1c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)ccnc1Cl
InChIInChI=1S/C19H12ClFN4O/c20-18-17(11-22)16(8-9-23-18)12-4-6-14(7-5-12)24-19(26)25-15-3-1-2-13(21)10-15/h1-10H,(H2,24,25,26)
InChIKeySVNBYDOLQNFIQT-UHFFFAOYSA-N
XLogP5.06
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 87279969
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-[4-[4-cyano-5-morpholin-4-yl-2-(1H-1,2,4-triazol-5-yl)thiophen-3-yl]phenyl]-3-(3-fluorophenyl)urea
CID 162670160
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
1-(3-fluorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316253
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea (CID 87528413) is 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea is N#Cc1c(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)ccnc1Cl.
What is the InChIKey of 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea?
The InChIKey is SVNBYDOLQNFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-18-17(11-22)16(8-9-23-18)12-4-6-14(7-5-12)24-19(26)25-15-3-1-2-13(21)10-15/h1-10H,(H2,24,25,26).
What are the key properties of 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea?
1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea has a molecular weight of 366.78 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-3-cyano-4-pyridinyl)phenyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 87528413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).