1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea

C12H14Cl2N2O2 — CID 64993936

IUPAC1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
SMILESCC(C)C(=O)CNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(2)11(17)6-15-12(18)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,18)
InChIKeyDOHDRLWAQOVIPY-UHFFFAOYSA-N
MW289.16 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea

1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea (PubChem CID 64993936) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
PubChem CID64993936
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
SMILESCC(C)C(=O)CNC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(2)11(17)6-15-12(18)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,18)
InChIKeyDOHDRLWAQOVIPY-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpropanamide
CID 47097183
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219401
1-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
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
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-ethylbutanamide
CID 47097189
(2S)-2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119268231
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219353
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea (CID 64993936) is 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea is CC(C)C(=O)CNC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea?
The InChIKey is DOHDRLWAQOVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7(2)11(17)6-15-12(18)16-10-5-8(13)3-4-9(10)14/h3-5,7H,6H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea?
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea has a molecular weight of 289.16 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea is sourced from PubChem (CID 64993936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).