1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea

C20H17F2N3O2 — CID 155673810

IUPAC1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea
SMILESCc1ccc(OCc2cccc(NC(=O)Nc3cc(F)cc(F)c3)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-13-5-6-19(11-23-13)27-12-14-3-2-4-17(7-14)24-20(26)25-18-9-15(21)8-16(22)10-18/h2-11H,12H2,1H3,(H2,24,25,26)
InChIKeyZGBOQVQDQDDNSG-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.89
Rot. Bonds5

About 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea

1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea (PubChem CID 155673810) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea
PubChem CID155673810
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea
SMILESCc1ccc(OCc2cccc(NC(=O)Nc3cc(F)cc(F)c3)c2)cn1
InChIInChI=1S/C20H17F2N3O2/c1-13-5-6-19(11-23-13)27-12-14-3-2-4-17(7-14)24-20(26)25-18-9-15(21)8-16(22)10-18/h2-11H,12H2,1H3,(H2,24,25,26)
InChIKeyZGBOQVQDQDDNSG-UHFFFAOYSA-N
XLogP4.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea with MolForge

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Related Compounds

1-[3-[(4-cyanophenoxy)methyl]phenyl]-3-(3,5-difluorophenyl)urea
CID 155673807
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116
1-[3-fluoro-5-(pyrrol-1-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 142687518
methyl N-[[3-fluoro-5-[(6-methyl-3-pyridinyl)carbamoylamino]phenyl]methyl]-N-methylcarbamate
CID 11709959
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
1-[3-fluoro-5-(morpholin-4-ylmethyl)phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 11667339
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
1-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453032

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea (CID 155673810) is 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea is Cc1ccc(OCc2cccc(NC(=O)Nc3cc(F)cc(F)c3)c2)cn1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea?
The InChIKey is ZGBOQVQDQDDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-13-5-6-19(11-23-13)27-12-14-3-2-4-17(7-14)24-20(26)25-18-9-15(21)8-16(22)10-18/h2-11H,12H2,1H3,(H2,24,25,26).
What are the key properties of 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea?
1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea has a molecular weight of 369.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]urea is sourced from PubChem (CID 155673810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).