1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea

C21H18Cl2N2O3 — CID 2806109

IUPAC1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-27-16-9-11-17(12-10-16)28-20-4-2-3-19(23)18(20)13-24-21(26)25-15-7-5-14(22)6-8-15/h2-12H,13H2,1H3,(H2,24,25,26)
InChIKeyCOSFXHNEANPJLT-UHFFFAOYSA-N
MW417.29 g/mol
LogP6.12
Rot. Bonds6

About 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea

1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea (PubChem CID 2806109) has the molecular formula C21H18Cl2N2O3 and a molecular weight of 417.29 g/mol. Its IUPAC name is 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
PubChem CID2806109
Molecular FormulaC21H18Cl2N2O3
Molecular Weight417.29 g/mol
Exact Mass416.07
IUPAC Name1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
SMILESCOc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18Cl2N2O3/c1-27-16-9-11-17(12-10-16)28-20-4-2-3-19(23)18(20)13-24-21(26)25-15-7-5-14(22)6-8-15/h2-12H,13H2,1H3,(H2,24,25,26)
InChIKeyCOSFXHNEANPJLT-UHFFFAOYSA-N
XLogP6.12
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.29
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
CID 2811720
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
4-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-4-oxobutanoate
CID 7189507
5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 2812331
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
1-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213625
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
1-[[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]methyl]-3-(4-fluorophenyl)urea
CID 2812307

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea (CID 2806109) is 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea is COc1ccc(Oc2cccc(Cl)c2CNC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea?
The InChIKey is COSFXHNEANPJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3/c1-27-16-9-11-17(12-10-16)28-20-4-2-3-19(23)18(20)13-24-21(26)25-15-7-5-14(22)6-8-15/h2-12H,13H2,1H3,(H2,24,25,26).
What are the key properties of 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea?
1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea has a molecular weight of 417.29 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2806109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).