1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea

C11H11ClN2O3 — CID 3060088

IUPAC1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCOC1=O
InChIInChI=1S/C11H11ClN2O3/c12-7-1-3-8(4-2-7)13-11(16)14-9-5-6-17-10(9)15/h1-4,9H,5-6H2,(H2,13,14,16)
InChIKeyXLNXTTAJRCKFBW-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.78
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea

1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea (PubChem CID 3060088) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea
PubChem CID3060088
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCOC1=O
InChIInChI=1S/C11H11ClN2O3/c12-7-1-3-8(4-2-7)13-11(16)14-9-5-6-17-10(9)15/h1-4,9H,5-6H2,(H2,13,14,16)
InChIKeyXLNXTTAJRCKFBW-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Chlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 9550269
Alanine, N-((p-chlorophenyl)carbamoyl)-2-methyl-, methyl ester
CID 1252008
N-(4-chlorophenyl)-N'-[1-(tetrahydro-2-furanyl)ethyl]urea
CID 6467040
2-{[(3-Chlorophenyl)carbamoyl]amino}acetic acid
CID 303775
2-[(3-chlorophenyl)amino]-2-oxoethyl 3-(2-oxo-2,3-dihydro-1H-imidazol-4-yl)propanoate
CID 891137
1-(4-Chloro-phenyl)-3-(tetrahydro-furan-2-ylmethyl)-urea
CID 2788429
Ethyl 2-{1-[(4-chloroanilino)carbonyl]-3-oxo-2-piperazinyl}acetate
CID 4368726
Ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]propanoate
CID 44423708
Diethyl 1-[(4-chlorophenyl)carbamoyl]pyrrolidine-2,5-dicarboxylate
CID 2822964
Urea, N-(4-chlorophenyl)-N'-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-
CID 3070378
Urea, N-(4-chlorophenyl)-N'-(2-(diethylamino)-3-propoxypropyl)-
CID 3070384
N-(4-chlorophenyl)-4-(oxolan-2-ylmethylcarbamoylamino)butanamide
CID 53515414

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea (CID 3060088) is 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCOC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea?
The InChIKey is XLNXTTAJRCKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-7-1-3-8(4-2-7)13-11(16)14-9-5-6-17-10(9)15/h1-4,9H,5-6H2,(H2,13,14,16).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea?
1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea has a molecular weight of 254.67 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxooxolan-3-yl)urea is sourced from PubChem (CID 3060088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).