1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea

C14H21ClN2O — CID 51928207

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
SMILESCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-5-6-11(4)16-14(18)17-13-10(3)7-9(2)8-12(13)15/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyWIQDFSBSZIHWGQ-LLVKDONJSA-N
MW268.79 g/mol
LogP4.27
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea (PubChem CID 51928207) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
PubChem CID51928207
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea
SMILESCCC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-5-6-11(4)16-14(18)17-13-10(3)7-9(2)8-12(13)15/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18)/t11-/m1/s1
InChIKeyWIQDFSBSZIHWGQ-LLVKDONJSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914830
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
(2S,3S)-2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099900
3-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 66137179
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea (CID 51928207) is 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea is CCC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea?
The InChIKey is WIQDFSBSZIHWGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-6-11(4)16-14(18)17-13-10(3)7-9(2)8-12(13)15/h7-8,11H,5-6H2,1-4H3,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-pentan-2-yl]urea has a molecular weight of 268.79 g/mol, XLogP of 4.27, 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-[(2R)-pentan-2-yl]urea is sourced from PubChem (CID 51928207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).