1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

C18H21Cl2N3O — CID 4994857

IUPAC1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C)c1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(14-7-4-6-13(2)12-14)11-10-21-18(24)22-16-9-5-8-15(19)17(16)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyOVJYSQNOOSGXQM-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.95
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 4994857) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID4994857
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C)c1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(14-7-4-6-13(2)12-14)11-10-21-18(24)22-16-9-5-8-15(19)17(16)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
InChIKeyOVJYSQNOOSGXQM-UHFFFAOYSA-N
XLogP4.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 4994857) is 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is OVJYSQNOOSGXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-3-23(14-7-4-6-13(2)12-14)11-10-21-18(24)22-16-9-5-8-15(19)17(16)20/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 366.29 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 4994857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).