1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea

C17H19ClN2O — CID 3408863

IUPAC1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)14-9-4-5-10-15(14)20-16(21)19-13-8-6-7-12(18)11-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyFXJJCQAVSMSLKL-UHFFFAOYSA-N
MW302.81 g/mol
LogP5.28
Rot. Bonds2

About 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea

1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea (PubChem CID 3408863) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
PubChem CID3408863
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
SMILESCC(C)(C)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)14-9-4-5-10-15(14)20-16(21)19-13-8-6-7-12(18)11-13/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyFXJJCQAVSMSLKL-UHFFFAOYSA-N
XLogP5.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.81
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
tert-butyl 2-[(3-chlorophenyl)carbamoylamino]acetate
CID 140974829
1-(3-chloro-4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859814
1-(2-carbamothioyl-3-methylphenyl)-3-(3-chlorophenyl)urea
CID 107798926

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea (CID 3408863) is 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea is CC(C)(C)c1ccccc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea?
The InChIKey is FXJJCQAVSMSLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)14-9-4-5-10-15(14)20-16(21)19-13-8-6-7-12(18)11-13/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea?
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea has a molecular weight of 302.81 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 3408863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).