1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea

C18H21ClN2O — CID 51944133

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H21ClN2O/c1-11-8-12(2)17(13(3)9-11)21-18(22)20-14(4)15-6-5-7-16(19)10-15/h5-10,14H,1-4H3,(H2,20,21,22)/t14-/m1/s1
InChIKeyXDDUFXYROGYSSE-CQSZACIVSA-N
MW316.83 g/mol
LogP5.15
Rot. Bonds3

About 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 51944133) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID51944133
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C18H21ClN2O/c1-11-8-12(2)17(13(3)9-11)21-18(22)20-14(4)15-6-5-7-16(19)10-15/h5-10,14H,1-4H3,(H2,20,21,22)/t14-/m1/s1
InChIKeyXDDUFXYROGYSSE-CQSZACIVSA-N
XLogP5.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.83
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 51944325
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110909987
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 27869054
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea (CID 51944133) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N[C@H](C)c2cccc(Cl)c2)c(C)c1.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is XDDUFXYROGYSSE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-11-8-12(2)17(13(3)9-11)21-18(22)20-14(4)15-6-5-7-16(19)10-15/h5-10,14H,1-4H3,(H2,20,21,22)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 316.83 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 51944133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).