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

C18H22ClN3O — CID 24768229

IUPAC1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyNQBIDEFHCXKTNN-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.30
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (PubChem CID 24768229) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
PubChem CID24768229
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1ccccc1Cl)c1cccc(C)c1
InChIInChI=1S/C18H22ClN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyNQBIDEFHCXKTNN-UHFFFAOYSA-N
XLogP4.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea (CID 24768229) is 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is CCN(CCNC(=O)Nc1ccccc1Cl)c1cccc(C)c1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
The InChIKey is NQBIDEFHCXKTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-22(15-8-6-7-14(2)13-15)12-11-20-18(23)21-17-10-5-4-9-16(17)19/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea has a molecular weight of 331.85 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(N-ethyl-3-methylanilino)ethyl]urea is sourced from PubChem (CID 24768229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).