1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea

C17H19ClN2O2 — CID 108991783

IUPAC1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyNSRHQPFWOGTDFK-UHFFFAOYSA-N
MW318.80 g/mol
LogP5.08
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea

1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 108991783) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
PubChem CID108991783
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCc1c(Cl)cccc1NC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H19ClN2O2/c1-11(2)22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyNSRHQPFWOGTDFK-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
2-(3-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317046
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208
2-[2-(2,6-dichloroanilino)phenyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 54789933
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(4-bromo-3-chlorophenyl)-3-(3-chloro-2-methylphenyl)urea
CID 17299431
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea (CID 108991783) is 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea is Cc1c(Cl)cccc1NC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is NSRHQPFWOGTDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11(2)22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-15(18)12(16)3/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea?
1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108991783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).