1-tert-butyl-3-(4-chlorophenyl)urea

C11H15ClN2O — CID 709303

IUPAC1-tert-butyl-3-(4-chlorophenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCEFKBUCTZZRAFZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.26
Rot. Bonds1

About 1-tert-butyl-3-(4-chlorophenyl)urea

1-tert-butyl-3-(4-chlorophenyl)urea (PubChem CID 709303) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(4-chlorophenyl)urea
PubChem CID709303
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-tert-butyl-3-(4-chlorophenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCEFKBUCTZZRAFZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
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1-tert-butyl-3-(4-methoxyphenyl)urea
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1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
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1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
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tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
1-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-(4-chlorophenyl)-3-(2-diethoxyphosphorylpropan-2-yl)urea
CID 10066373
(E)-3-[4-(tert-butylcarbamoylamino)phenyl]prop-2-enoic acid
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1-tert-butyl-3-[4-(triazol-2-yl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)urea?
The IUPAC name of 1-tert-butyl-3-(4-chlorophenyl)urea (CID 709303) is 1-tert-butyl-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(4-chlorophenyl)urea is CC(C)(C)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-tert-butyl-3-(4-chlorophenyl)urea?
The InChIKey is CEFKBUCTZZRAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-11(2,3)14-10(15)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-tert-butyl-3-(4-chlorophenyl)urea?
1-tert-butyl-3-(4-chlorophenyl)urea has a molecular weight of 226.71 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-chlorophenyl)urea is sourced from PubChem (CID 709303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).