1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea

C13H11ClFN3O — CID 970486

IUPAC1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H11ClFN3O/c1-8-4-5-16-12(6-8)18-13(19)17-9-2-3-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyJJEMDPBDOAIOKV-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.83
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea

1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 970486) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID970486
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H11ClFN3O/c1-8-4-5-16-12(6-8)18-13(19)17-9-2-3-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyJJEMDPBDOAIOKV-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]urea
CID 42111663
N'-(3-chloro-4-fluorophenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]butanediamide
CID 50959320
1-(3-chloro-4-fluorophenyl)-3-(1,2-oxazol-3-yl)urea
CID 6465329
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
1-(4-methyl-2-pyridinyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892618
1-(3-chloro-4-fluorophenyl)-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813456
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea (CID 970486) is 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is JJEMDPBDOAIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c1-8-4-5-16-12(6-8)18-13(19)17-9-2-3-11(15)10(14)7-9/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 279.70 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 970486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).