N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C13H14Cl2N2O2 — CID 2972129

IUPACN-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)16-9-3-5-10(6-4-9)17-11(19)12(2)7-13(12,14)15/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRYMHZFJLADHQJA-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.17
Rot. Bonds3

About N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 2972129) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID2972129
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)16-9-3-5-10(6-4-9)17-11(19)12(2)7-13(12,14)15/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRYMHZFJLADHQJA-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 2972129) is N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is RYMHZFJLADHQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-8(18)16-9-3-5-10(6-4-9)17-11(19)12(2)7-13(12,14)15/h3-6H,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 301.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2972129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).