1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea

C12H15ClN2O2 — CID 64993875

IUPAC1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
SMILESCCC(=O)C(C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-3-11(16)8(2)14-12(17)15-10-6-4-5-9(13)7-10/h4-8H,3H2,1-2H3,(H2,14,15,17)
InChIKeyCZKANTISWFYGED-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea

1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea (PubChem CID 64993875) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
PubChem CID64993875
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea
SMILESCCC(=O)C(C)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c1-3-11(16)8(2)14-12(17)15-10-6-4-5-9(13)7-10/h4-8H,3H2,1-2H3,(H2,14,15,17)
InChIKeyCZKANTISWFYGED-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
diethyl 2-[(3-chlorophenyl)carbamoylamino]propanedioate
CID 110495007
1-(3-chlorophenyl)-3-(1-methoxypropan-2-yl)urea
CID 24528797
2-[(3-chlorophenyl)carbamoylamino]pentanoic acid
CID 43631122
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
1-(3-chlorophenyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 96504157
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea (CID 64993875) is 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea is CCC(=O)C(C)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea?
The InChIKey is CZKANTISWFYGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-11(16)8(2)14-12(17)15-10-6-4-5-9(13)7-10/h4-8H,3H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea?
1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea has a molecular weight of 254.72 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3-oxopentan-2-yl)urea is sourced from PubChem (CID 64993875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).