1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine

C46H41Cl3FN7O4 — CID 161167639

IUPAC1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
SMILESCc1cc(Cl)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C20H17ClFN3O2.C20H18ClN3O2.C6H6ClN/c1-12-9-14(3-5-17(12)21)24-20(26)25-19-6-4-15(11-18(19)22)27-16-7-8-23-13(2)10-16;1-13-11-16(5-8-19(13)21)24-20(25)23-15-3-6-17(7-4-15)26-18-9-10-22-14(2)12-18;1-5-4-6(7)2-3-8-5/h3-11H,1-2H3,(H2,24,25,26);3-12H,1-2H3,(H2,23,24,25);2-4H,1H3
InChIKeyUQTKUHVBLXPFSW-UHFFFAOYSA-N
MW881.24 g/mol
LogP13.76
Rot. Bonds8

About 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine

1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine (PubChem CID 161167639) has the molecular formula C46H41Cl3FN7O4 and a molecular weight of 881.24 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
PubChem CID161167639
Molecular FormulaC46H41Cl3FN7O4
Molecular Weight881.24 g/mol
Exact Mass879.23
IUPAC Name1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine
SMILESCc1cc(Cl)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1
InChIInChI=1S/C20H17ClFN3O2.C20H18ClN3O2.C6H6ClN/c1-12-9-14(3-5-17(12)21)24-20(26)25-19-6-4-15(11-18(19)22)27-16-7-8-23-13(2)10-16;1-13-11-16(5-8-19(13)21)24-20(25)23-15-3-6-17(7-4-15)26-18-9-10-22-14(2)12-18;1-5-4-6(7)2-3-8-5/h3-11H,1-2H3,(H2,24,25,26);3-12H,1-2H3,(H2,23,24,25);2-4H,1H3
InChIKeyUQTKUHVBLXPFSW-UHFFFAOYSA-N
XLogP13.76
TPSA139.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.24
LogP ≤ 513.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine with MolForge

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Related Compounds

methyl 4-[4-[(4-chloro-3-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 71248936
4-[4-[(4-chloro-3-methylphenyl)carbamothioylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 159662523
1-(4-chloro-3-fluorophenyl)-3-[4-[[2-(methylamino)-4-pyridinyl]oxy]phenyl]urea
CID 143782858
4-[4-[(4-chloro-3-propan-2-ylphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155808888
1-cyclohexa-1,5-dien-1-yl-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea
CID 142291403
4-[4-[[4-chloro-3-(trifluoromethoxy)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813764
2-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-2-pyridinyl]-2-oxoacetamide
CID 141458307
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide;hydrate
CID 91810343
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N,N-diethylpyridine-2-carboxamide
CID 123438277
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine (CID 161167639) is 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine is Cc1cc(Cl)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)c(F)c2)ccn1.Cc1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C)c3)cc2)ccn1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine?
The InChIKey is UQTKUHVBLXPFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2.C20H18ClN3O2.C6H6ClN/c1-12-9-14(3-5-17(12)21)24-20(26)25-19-6-4-15(11-18(19)22)27-16-7-8-23-13(2)10-16;1-13-11-16(5-8-19(13)21)24-20(25)23-15-3-6-17(7-4-15)26-18-9-10-22-14(2)12-18;1-5-4-6(7)2-3-8-5/h3-11H,1-2H3,(H2,24,25,26);3-12H,1-2H3,(H2,23,24,25);2-4H,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine?
1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine has a molecular weight of 881.24 g/mol, XLogP of 13.76, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-[2-fluoro-4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;1-(4-chloro-3-methylphenyl)-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]urea;4-chloro-2-methylpyridine is sourced from PubChem (CID 161167639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).