N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide

C13H12F4N2O2 — CID 103732512

IUPACN-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)C(F)F)c1)C1CC1
InChIInChI=1S/C13H12F4N2O2/c14-11(15)13(16,17)12(21)19-9-3-1-2-8(6-9)18-10(20)7-4-5-7/h1-3,6-7,11H,4-5H2,(H,18,20)(H,19,21)
InChIKeyMEXFAUQQVMINHX-UHFFFAOYSA-N
MW304.24 g/mol
LogP2.87
Rot. Bonds5

About N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide

N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 103732512) has the molecular formula C13H12F4N2O2 and a molecular weight of 304.24 g/mol. Its IUPAC name is N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID103732512
Molecular FormulaC13H12F4N2O2
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC NameN-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NC(=O)C(F)(F)C(F)F)c1)C1CC1
InChIInChI=1S/C13H12F4N2O2/c14-11(15)13(16,17)12(21)19-9-3-1-2-8(6-9)18-10(20)7-4-5-7/h1-3,6-7,11H,4-5H2,(H,18,20)(H,19,21)
InChIKeyMEXFAUQQVMINHX-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 108933365
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4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
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1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
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2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
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N-(3-formamidophenyl)cyclopropanecarboxamide
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CID 28620650
2,2,2-trifluoroethyl N-[3-(cyclopropanecarbonylamino)phenyl]carbamate
CID 65169104
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide (CID 103732512) is N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NC(=O)C(F)(F)C(F)F)c1)C1CC1.
What is the InChIKey of N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is MEXFAUQQVMINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O2/c14-11(15)13(16,17)12(21)19-9-3-1-2-8(6-9)18-10(20)7-4-5-7/h1-3,6-7,11H,4-5H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide?
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 304.24 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 103732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).