1-(4-chlorophenyl)-3-(2-oxopropyl)urea

C10H11ClN2O2 — CID 64994340

IUPAC1-(4-chlorophenyl)-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-7(14)6-12-10(15)13-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H2,12,13,15)
InChIKeyPXSHFXNNXUFBHV-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2-oxopropyl)urea

1-(4-chlorophenyl)-3-(2-oxopropyl)urea (PubChem CID 64994340) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxopropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxopropyl)urea
PubChem CID64994340
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-(4-chlorophenyl)-3-(2-oxopropyl)urea
SMILESCC(=O)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O2/c1-7(14)6-12-10(15)13-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H2,12,13,15)
InChIKeyPXSHFXNNXUFBHV-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-(4-chlorophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 94863126
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894361
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
CID 135231061
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
CID 158191515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxopropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxopropyl)urea (CID 64994340) is 1-(4-chlorophenyl)-3-(2-oxopropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxopropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxopropyl)urea is CC(=O)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxopropyl)urea?
The InChIKey is PXSHFXNNXUFBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-7(14)6-12-10(15)13-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H2,12,13,15).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxopropyl)urea?
1-(4-chlorophenyl)-3-(2-oxopropyl)urea has a molecular weight of 226.66 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxopropyl)urea is sourced from PubChem (CID 64994340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).