N-[2-(cyclopropanecarbonyl)phenyl]acetamide

C12H13NO2 — CID 102044050

IUPACN-[2-(cyclopropanecarbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)C1CC1
InChIInChI=1S/C12H13NO2/c1-8(14)13-11-5-3-2-4-10(11)12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeyPEZVBAIYCZYRPH-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.24
Rot. Bonds3

About N-[2-(cyclopropanecarbonyl)phenyl]acetamide

N-[2-(cyclopropanecarbonyl)phenyl]acetamide (PubChem CID 102044050) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)phenyl]acetamide
PubChem CID102044050
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-[2-(cyclopropanecarbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(=O)C1CC1
InChIInChI=1S/C12H13NO2/c1-8(14)13-11-5-3-2-4-10(11)12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeyPEZVBAIYCZYRPH-UHFFFAOYSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)phenyl]acetamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)phenyl]acetamide (CID 102044050) is N-[2-(cyclopropanecarbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)phenyl]acetamide is CC(=O)Nc1ccccc1C(=O)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)phenyl]acetamide?
The InChIKey is PEZVBAIYCZYRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)13-11-5-3-2-4-10(11)12(15)9-6-7-9/h2-5,9H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(cyclopropanecarbonyl)phenyl]acetamide?
N-[2-(cyclopropanecarbonyl)phenyl]acetamide has a molecular weight of 203.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)phenyl]acetamide is sourced from PubChem (CID 102044050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).