1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea

C16H17ClN2O3 — CID 23819690

IUPAC1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-16(20)19-13-5-3-12(17)4-6-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyCSJDQVYPLMDRRR-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea

1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea (PubChem CID 23819690) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
PubChem CID23819690
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
SMILESCOc1cc(CNC(=O)Nc2ccc(Cl)cc2)cc(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-16(20)19-13-5-3-12(17)4-6-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyCSJDQVYPLMDRRR-UHFFFAOYSA-N
XLogP3.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(3,5-dimethoxyphenyl)methyl]-3-phenylurea
CID 3367355
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 110774913
1-[(3,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)urea
CID 3868754
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea (CID 23819690) is 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea is COc1cc(CNC(=O)Nc2ccc(Cl)cc2)cc(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea?
The InChIKey is CSJDQVYPLMDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-14-7-11(8-15(9-14)22-2)10-18-16(20)19-13-5-3-12(17)4-6-13/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea?
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 23819690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).