1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

C17H18Cl2N2O2 — CID 60591409

IUPAC1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-23-16-4-2-3-13(9-16)11-21-17(22)20-6-5-12-7-14(18)10-15(19)8-12/h2-4,7-10H,5-6,11H2,1H3,(H2,20,21,22)
InChIKeyKWQNZFZKCVWNBZ-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.04
Rot. Bonds6

About 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea

1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 60591409) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
PubChem CID60591409
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-23-16-4-2-3-13(9-16)11-21-17(22)20-6-5-12-7-14(18)10-15(19)8-12/h2-4,7-10H,5-6,11H2,1H3,(H2,20,21,22)
InChIKeyKWQNZFZKCVWNBZ-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[2-(3-hydroxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 60602886
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
1-(2-fluoroethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 59778690
1-[(4-fluorophenyl)methyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108867745
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 48630580
1-(3,3-dimethylbutyl)-3-[(3-methoxyphenyl)methyl]urea
CID 38270007
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea (CID 60591409) is 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)NCCc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is KWQNZFZKCVWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-23-16-4-2-3-13(9-16)11-21-17(22)20-6-5-12-7-14(18)10-15(19)8-12/h2-4,7-10H,5-6,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea?
1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 353.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 60591409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).