1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C16H16F2N2O3 — CID 111457941

IUPAC1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3/c17-12-5-6-14(13(18)9-12)20-16(22)19-10-11-3-1-2-4-15(11)23-8-7-21/h1-6,9,21H,7-8,10H2,(H2,19,20,22)
InChIKeyACZBXLPUFGXVAD-UHFFFAOYSA-N
MW322.31 g/mol
LogP2.66
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111457941) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111457941
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1OCCO)Nc1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3/c17-12-5-6-14(13(18)9-12)20-16(22)19-10-11-3-1-2-4-15(11)23-8-7-21/h1-6,9,21H,7-8,10H2,(H2,19,20,22)
InChIKeyACZBXLPUFGXVAD-UHFFFAOYSA-N
XLogP2.66
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-(2,4-difluorophenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969888
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
1-(2,4-difluorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63311976
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
1-N-(2,4-difluorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136506

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111457941) is 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is O=C(NCc1ccccc1OCCO)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is ACZBXLPUFGXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-12-5-6-14(13(18)9-12)20-16(22)19-10-11-3-1-2-4-15(11)23-8-7-21/h1-6,9,21H,7-8,10H2,(H2,19,20,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 322.31 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111457941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).