1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea

C14H20Cl2N2O — CID 51934926

IUPAC1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)8-17-14(19)18(4)10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyJJQWNPPYNKBFSI-SNVBAGLBSA-N
MW303.23 g/mol
LogP4.35
Rot. Bonds4

About 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea

1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea (PubChem CID 51934926) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
PubChem CID51934926
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-9(2)8-17-14(19)18(4)10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m1/s1
InChIKeyJJQWNPPYNKBFSI-SNVBAGLBSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55809129
(2S)-3-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 107839811
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-[1-(2,4-dichlorophenyl)ethyl-methylamino]butanoic acid
CID 65067886
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55746193

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea (CID 51934926) is 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea is CC(C)CNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea?
The InChIKey is JJQWNPPYNKBFSI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-9(2)8-17-14(19)18(4)10(3)12-6-5-11(15)7-13(12)16/h5-7,9-10H,8H2,1-4H3,(H,17,19)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea?
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea has a molecular weight of 303.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 51934926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).