N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid

C13H15F2NO3 — CID 69303286

IUPACN-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid
SMILESO=C(NCCc1cccc(F)c1F)C1CC1.O=CO
InChIInChI=1S/C12H13F2NO.CH2O2/c13-10-3-1-2-8(11(10)14)6-7-15-12(16)9-4-5-9;2-1-3/h1-3,9H,4-7H2,(H,15,16);1H,(H,2,3)
InChIKeySHFZPGZKDVPXQV-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid

N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid (PubChem CID 69303286) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid.

Molecular Properties

Compound NameN-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid
PubChem CID69303286
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC NameN-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid
SMILESO=C(NCCc1cccc(F)c1F)C1CC1.O=CO
InChIInChI=1S/C12H13F2NO.CH2O2/c13-10-3-1-2-8(11(10)14)6-7-15-12(16)9-4-5-9;2-1-3/h1-3,9H,4-7H2,(H,15,16);1H,(H,2,3)
InChIKeySHFZPGZKDVPXQV-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989710
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148209
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109149014
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
N-[2-(cyclopropanecarbonylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108542400
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid?
The IUPAC name of N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid (CID 69303286) is N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid.
What is the SMILES notation for N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid?
The canonical SMILES for N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid is O=C(NCCc1cccc(F)c1F)C1CC1.O=CO.
What is the InChIKey of N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid?
The InChIKey is SHFZPGZKDVPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO.CH2O2/c13-10-3-1-2-8(11(10)14)6-7-15-12(16)9-4-5-9;2-1-3/h1-3,9H,4-7H2,(H,15,16);1H,(H,2,3).
What are the key properties of N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid?
N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid has a molecular weight of 271.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-difluorophenyl)ethyl]cyclopropanecarboxamide;formic acid is sourced from PubChem (CID 69303286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).