1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea

C13H18Cl2N2O2 — CID 103916783

IUPAC1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
SMILESCC(C)(O)C(C)(C)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-12(2,13(3,4)19)17-11(18)16-10-7-8(14)5-6-9(10)15/h5-7,19H,1-4H3,(H2,16,17,18)
InChIKeyLSPCPBNWZZSQKX-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.66
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea

1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea (PubChem CID 103916783) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
PubChem CID103916783
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
SMILESCC(C)(O)C(C)(C)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H18Cl2N2O2/c1-12(2,13(3,4)19)17-11(18)16-10-7-8(14)5-6-9(10)15/h5-7,19H,1-4H3,(H2,16,17,18)
InChIKeyLSPCPBNWZZSQKX-UHFFFAOYSA-N
XLogP3.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914944
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
N-(2,5-dichlorophenyl)-2-methyl-2-(methylamino)propanamide
CID 62834105
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
N-(2,5-dichlorophenyl)-2,2-dimethylbutanamide
CID 4629651
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(2,5-dichlorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909411
3-(tert-butylcarbamoylamino)-4-chlorobenzoic acid
CID 28786246
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea (CID 103916783) is 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea is CC(C)(O)C(C)(C)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
The InChIKey is LSPCPBNWZZSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-12(2,13(3,4)19)17-11(18)16-10-7-8(14)5-6-9(10)15/h5-7,19H,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea?
1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea has a molecular weight of 305.20 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea is sourced from PubChem (CID 103916783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).