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

C17H19F2N3O2 — CID 51100451

IUPAC1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
SMILESCOCCNc1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2N3O2/c1-24-9-8-20-14-5-2-12(3-6-14)11-21-17(23)22-16-7-4-13(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyXRVZJAVFNNAMJN-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.34
Rot. Bonds7

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

1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea (PubChem CID 51100451) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
PubChem CID51100451
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
SMILESCOCCNc1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2N3O2/c1-24-9-8-20-14-5-2-12(3-6-14)11-21-17(23)22-16-7-4-13(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyXRVZJAVFNNAMJN-UHFFFAOYSA-N
XLogP3.34
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894556
1-[(4-bromophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 60969569
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 86988561
tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733
1-(4-amino-2-fluorophenyl)-3-(2-methoxyethyl)urea
CID 118069861
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
1-(2,4-difluorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63311976
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea (CID 51100451) is 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea is COCCNc1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea?
The InChIKey is XRVZJAVFNNAMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-24-9-8-20-14-5-2-12(3-6-14)11-21-17(23)22-16-7-4-13(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea?
1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea has a molecular weight of 335.35 g/mol, XLogP of 3.34, 7 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-[[4-(2-methoxyethylamino)phenyl]methyl]urea is sourced from PubChem (CID 51100451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).