1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea

C16H18FN3O — CID 43508295

IUPAC1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(18-2)14-5-3-4-6-15(14)20-16(21)19-13-9-7-12(17)8-10-13/h3-11,18H,1-2H3,(H2,19,20,21)
InChIKeyUBINEVIYUKPZBE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.75
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea

1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 43508295) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
PubChem CID43508295
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(18-2)14-5-3-4-6-15(14)20-16(21)19-13-9-7-12(17)8-10-13/h3-11,18H,1-2H3,(H2,19,20,21)
InChIKeyUBINEVIYUKPZBE-UHFFFAOYSA-N
XLogP3.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507974
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
1-[1-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 47032089
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 61497811
1-[2-(1-aminoethyl)phenyl]-3-(4-methylphenyl)urea
CID 43437759
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
2-[2-[(4-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 90271537

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea (CID 43508295) is 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is UBINEVIYUKPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(18-2)14-5-3-4-6-15(14)20-16(21)19-13-9-7-12(17)8-10-13/h3-11,18H,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea?
1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 287.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).