1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea

C18H21ClN2O — CID 17380995

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(2)15-6-8-17(9-7-15)21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyNZECUVLONVJARU-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.83
Rot. Bonds5

About 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea

1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 17380995) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID17380995
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCC(C)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O/c1-13(2)15-6-8-17(9-7-15)21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyNZECUVLONVJARU-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885740
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
CID 86987908
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
5-[2-(3-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289171
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
CID 42702046
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108873490
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea (CID 17380995) is 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea is CC(C)c1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is NZECUVLONVJARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13(2)15-6-8-17(9-7-15)21-18(22)20-11-10-14-4-3-5-16(19)12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 316.83 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 17380995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).