3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea

C14H21FN2O3 — CID 44756384

IUPAC3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyFQLYAMFUQUSPOP-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.63
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea

3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 44756384) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID44756384
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyFQLYAMFUQUSPOP-UHFFFAOYSA-N
XLogP1.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 108897546
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
4-[[[(3-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 122019966
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4205896
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
3-[(4-fluorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108867664
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 655501

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (CID 44756384) is 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is FQLYAMFUQUSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-3-5-13(15)6-4-12/h3-6H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 284.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 44756384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).