1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea

C18H21ClN2O — CID 108891207

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)8-9-20-18(22)21-17-14(3)10-13(2)11-16(17)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyGQBWFINJZAXLEF-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.63
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891207) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891207
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)8-9-20-18(22)21-17-14(3)10-13(2)11-16(17)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyGQBWFINJZAXLEF-UHFFFAOYSA-N
XLogP4.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025156
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
2-[(E)-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethylidene]amino]oxy-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 6905297
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
1-(3,5-dihydroxyphenyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108895647
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
1-(2-chloro-4,6-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108889015

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea (CID 108891207) is 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea is Cc1ccc(CCNC(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is GQBWFINJZAXLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-4-6-15(7-5-12)8-9-20-18(22)21-17-14(3)10-13(2)11-16(17)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 316.83 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).