(2,3-dimethylphenyl)urea

C9H12N2O — CID 3500140

IUPAC(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1C
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKeyFZAKKMJTXLAJEQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.79
Rot. Bonds1

About (2,3-dimethylphenyl)urea

(2,3-dimethylphenyl)urea (PubChem CID 3500140) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name(2,3-dimethylphenyl)urea
PubChem CID3500140
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1C
InChIInChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChIKeyFZAKKMJTXLAJEQ-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 8443
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CID 25712
CID 25712
CID 98771
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CID 36332
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CID 39238
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CID 12148
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CID 68461
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CID 99645
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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)urea?
The IUPAC name of (2,3-dimethylphenyl)urea (CID 3500140) is (2,3-dimethylphenyl)urea.
What is the SMILES notation for (2,3-dimethylphenyl)urea?
The canonical SMILES for (2,3-dimethylphenyl)urea is Cc1cccc(NC(N)=O)c1C.
What is the InChIKey of (2,3-dimethylphenyl)urea?
The InChIKey is FZAKKMJTXLAJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12).
What are the key properties of (2,3-dimethylphenyl)urea?
(2,3-dimethylphenyl)urea has a molecular weight of 164.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)urea is sourced from PubChem (CID 3500140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).