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

C15H14Cl2N2O2 — CID 3844619

IUPAC1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)12(17)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyXDVAAWHAUIOBIB-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.32
Rot. Bonds4

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

1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 3844619) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
PubChem CID3844619
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)12(17)8-10/h2-8H,9H2,1H3,(H2,18,19,20)
InChIKeyXDVAAWHAUIOBIB-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

methyl 2-[(3,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 1294805
1-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 100747065
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-[(3,4-diethoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 100747631
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
CID 3868754
(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 51946841
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 52593579
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea (CID 3844619) is 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea?
The InChIKey is XDVAAWHAUIOBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-21-14-5-3-2-4-13(14)19-15(20)18-9-10-6-7-11(16)12(17)8-10/h2-8H,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea?
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)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-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).