1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea

C13H11ClFN3O — CID 47032706

IUPAC1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN3O/c14-10-4-1-5-11(12(10)15)18-13(19)17-8-9-3-2-6-16-7-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyPIBMDAOBXDCSFU-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.20
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea

1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 47032706) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID47032706
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN3O/c14-10-4-1-5-11(12(10)15)18-13(19)17-8-9-3-2-6-16-7-9/h1-7H,8H2,(H2,17,18,19)
InChIKeyPIBMDAOBXDCSFU-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
2-methyl-3-(pyridin-3-ylmethylcarbamoylamino)benzoic acid
CID 62948416
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
1-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610132
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-(3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115584044

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea (CID 47032706) is 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is PIBMDAOBXDCSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-10-4-1-5-11(12(10)15)18-13(19)17-8-9-3-2-6-16-7-9/h1-7H,8H2,(H2,17,18,19).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea?
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 279.70 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47032706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).