1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea

C11H12Cl2N2O2 — CID 64994195

IUPAC1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
SMILESCC(=O)C(C)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6(7(2)16)14-11(17)15-10-5-8(12)3-4-9(10)13/h3-6H,1-2H3,(H2,14,15,17)
InChIKeyVTDVMRSZXQRLDJ-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.09
Rot. Bonds3

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

1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea (PubChem CID 64994195) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
PubChem CID64994195
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
SMILESCC(=O)C(C)NC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-6(7(2)16)14-11(17)15-10-5-8(12)3-4-9(10)13/h3-6H,1-2H3,(H2,14,15,17)
InChIKeyVTDVMRSZXQRLDJ-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
CID 142639963
1-(2,5-dichlorophenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65313053
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
1-(1-aminobutan-2-yl)-3-(2,5-dichlorophenyl)urea
CID 65193306
ethyl (3R)-3-[(2,5-dichlorophenyl)carbamoylamino]butanoate
CID 96542158
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
(2R)-2-[(5-chloro-2-methylphenyl)carbamoylamino]propanoate
CID 7679282

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea (CID 64994195) is 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea is CC(=O)C(C)NC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea?
The InChIKey is VTDVMRSZXQRLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-6(7(2)16)14-11(17)15-10-5-8(12)3-4-9(10)13/h3-6H,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea?
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea has a molecular weight of 275.13 g/mol, XLogP of 3.09, 3 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-oxobutan-2-yl)urea is sourced from PubChem (CID 64994195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).