1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea

C16H16Cl2N2O3 — CID 55910965

IUPAC1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-7-8-23-13-4-2-3-11(9-13)19-16(21)20-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyPRWOQIDUJSYHMU-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.66
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea

1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea (PubChem CID 55910965) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
PubChem CID55910965
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Name1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H16Cl2N2O3/c1-22-7-8-23-13-4-2-3-11(9-13)19-16(21)20-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21)
InChIKeyPRWOQIDUJSYHMU-UHFFFAOYSA-N
XLogP4.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
1-[3-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 68651093
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 63121094
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea (CID 55910965) is 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea is COCCOc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea?
The InChIKey is PRWOQIDUJSYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-22-7-8-23-13-4-2-3-11(9-13)19-16(21)20-12-5-6-14(17)15(18)10-12/h2-6,9-10H,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea has a molecular weight of 355.22 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 55910965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).