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

C14H21FN2O3 — CID 108897546

IUPAC3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyQVFHNIGGTRACCU-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.63
Rot. Bonds8

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

3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108897546) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108897546
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18)
InChIKeyQVFHNIGGTRACCU-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-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345
N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
CID 166967445
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
1-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-[[(2S)-1-methylpiperidin-2-yl]methyl]urea
CID 126423894
1-(2-fluorophenyl)-N-(2-methoxyethoxy)methanamine
CID 82712660
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea (CID 108897546) is 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is QVFHNIGGTRACCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-19-9-7-17(8-10-20-2)14(18)16-11-12-5-3-4-6-13(12)15/h3-6H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 3-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea?
3-[(2-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-[(2-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108897546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).