1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea

C11H15ClN2O — CID 5199743

IUPAC1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C
InChIInChI=1S/C11H15ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCJZLMEHFBQBPTA-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.18
Rot. Bonds2

About 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea

1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea (PubChem CID 5199743) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
PubChem CID5199743
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
SMILESCc1cc(Cl)ccc1NC(=O)NC(C)C
InChIInChI=1S/C11H15ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14,15)
InChIKeyCJZLMEHFBQBPTA-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
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CID 111116733
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
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N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
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1-(4-chloro-2-methylphenyl)-3-pyridin-1-ium-1-ylurea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea (CID 5199743) is 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea is Cc1cc(Cl)ccc1NC(=O)NC(C)C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea?
The InChIKey is CJZLMEHFBQBPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7(2)13-11(15)14-10-5-4-9(12)6-8(10)3/h4-7H,1-3H3,(H2,13,14,15).
What are the key properties of 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea?
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea has a molecular weight of 226.71 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 5199743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).