1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea

C15H14Cl2N2O2 — CID 3407219

IUPAC1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-11-7-5-10(6-8-11)9-18-15(20)19-14-12(16)3-2-4-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyBBUZXUPFSYURIC-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.32
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea

1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 3407219) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID3407219
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-11-7-5-10(6-8-11)9-18-15(20)19-14-12(16)3-2-4-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyBBUZXUPFSYURIC-UHFFFAOYSA-N
XLogP4.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
methyl 4-[[(2-chloro-6-fluorophenyl)carbamoylamino]methyl]benzoate
CID 108896675
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743
1-(2-ethylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 17379696
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
(2R)-2-(2,6-dichlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7847827
1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 3407219) is 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is BBUZXUPFSYURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-11-7-5-10(6-8-11)9-18-15(20)19-14-12(16)3-2-4-13(14)17/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 325.20 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 3407219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).