1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea

C11H15ClN2O2 — CID 115865549

IUPAC1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
SMILESCC(C)(C)ONC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyVTPUEQYRJPVIIW-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.19
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea

1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea (PubChem CID 115865549) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
PubChem CID115865549
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
SMILESCC(C)(C)ONC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-11(2,3)16-14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyVTPUEQYRJPVIIW-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(3-chlorophenyl)-3-(methoxymethoxy)urea
CID 110495475
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
[(3-chlorophenyl)carbamoylamino] 3,3-dimethyl-2-phenoxybutanoate
CID 56997059
methyl N-(3-chlorophenyl)carbamate
CID 16529
1-(2-tert-butylsulfanylethyl)-3-(3-chlorophenyl)urea
CID 3884756
1-(3-chlorophenyl)-3-[(Z)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]urea
CID 110536127
(2S)-2-[(3-chlorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61143282
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
1-[(2R)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 1376673

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea (CID 115865549) is 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea is CC(C)(C)ONC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea?
The InChIKey is VTPUEQYRJPVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-11(2,3)16-14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea?
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea has a molecular weight of 242.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea is sourced from PubChem (CID 115865549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).