1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea

C15H16FN3O — CID 43602491

IUPAC1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
SMILESCNCc1cccc(NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H16FN3O/c1-17-10-11-5-4-6-12(9-11)18-15(20)19-14-8-3-2-7-13(14)16/h2-9,17H,10H2,1H3,(H2,18,19,20)
InChIKeyXWZKZBKYFGWTRN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea

1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea (PubChem CID 43602491) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
PubChem CID43602491
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea
SMILESCNCc1cccc(NC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H16FN3O/c1-17-10-11-5-4-6-12(9-11)18-15(20)19-14-8-3-2-7-13(14)16/h2-9,17H,10H2,1H3,(H2,18,19,20)
InChIKeyXWZKZBKYFGWTRN-UHFFFAOYSA-N
XLogP3.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
3,4,5-trifluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 63186754
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
2-(2,5-difluorophenyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 84589209
5-fluoro-2-hydroxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 115299348
1-(2-fluorophenyl)-3-[3-[(2-fluorophenyl)sulfamoyl]phenyl]urea
CID 4803235
phenyl N-[3-(methylaminomethyl)phenyl]carbamate
CID 43602480
4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 61407882
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea (CID 43602491) is 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea is CNCc1cccc(NC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea?
The InChIKey is XWZKZBKYFGWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-17-10-11-5-4-6-12(9-11)18-15(20)19-14-8-3-2-7-13(14)16/h2-9,17H,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea?
1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea has a molecular weight of 273.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(methylaminomethyl)phenyl]urea is sourced from PubChem (CID 43602491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).