1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea

C14H15F2N3O — CID 2815618

IUPAC1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(F)cc2F)n1C
InChIInChI=1S/C14H15F2N3O/c1-9-3-5-11(19(9)2)8-17-14(20)18-13-6-4-10(15)7-12(13)16/h3-7H,8H2,1-2H3,(H2,17,18,20)
InChIKeyIWNPXZQWDIVHSS-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.93
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea

1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea (PubChem CID 2815618) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea
PubChem CID2815618
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(F)cc2F)n1C
InChIInChI=1S/C14H15F2N3O/c1-9-3-5-11(19(9)2)8-17-14(20)18-13-6-4-10(15)7-12(13)16/h3-7H,8H2,1-2H3,(H2,17,18,20)
InChIKeyIWNPXZQWDIVHSS-UHFFFAOYSA-N
XLogP2.93
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea (CID 2815618) is 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc(F)cc2F)n1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea?
The InChIKey is IWNPXZQWDIVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-9-3-5-11(19(9)2)8-17-14(20)18-13-6-4-10(15)7-12(13)16/h3-7H,8H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea?
1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea has a molecular weight of 279.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea is sourced from PubChem (CID 2815618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).