1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea

C16H15N3O2 — CID 43369636

IUPAC1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccccc2OCC#N)c1
InChIInChI=1S/C16H15N3O2/c1-12-5-4-6-13(11-12)18-16(20)19-14-7-2-3-8-15(14)21-10-9-17/h2-8,11H,10H2,1H3,(H2,18,19,20)
InChIKeyFNHKFERDYHZBJN-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.54
Rot. Bonds4

About 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea

1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea (PubChem CID 43369636) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
PubChem CID43369636
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccccc2OCC#N)c1
InChIInChI=1S/C16H15N3O2/c1-12-5-4-6-13(11-12)18-16(20)19-14-7-2-3-8-15(14)21-10-9-17/h2-8,11H,10H2,1H3,(H2,18,19,20)
InChIKeyFNHKFERDYHZBJN-UHFFFAOYSA-N
XLogP3.54
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyanomethoxy)phenyl]-3-(4-methylphenyl)urea
CID 43437768
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
N-[2-(cyanomethoxy)phenyl]-2,2-difluoroacetamide
CID 103513721
1-[2-(cyanomethoxy)phenyl]-3-cyclohexylurea
CID 43369639
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
CID 43369330
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
1-N-(2-ethoxyphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea (CID 43369636) is 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccccc2OCC#N)c1.
What is the InChIKey of 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is FNHKFERDYHZBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-5-4-6-13(11-12)18-16(20)19-14-7-2-3-8-15(14)21-10-9-17/h2-8,11H,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea?
1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 281.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 43369636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).