N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide

C12H12F2N2O — CID 9234157

IUPACN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7(15-16-12(17)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8H,2-3H2,1H3,(H,16,17)/b15-7-
InChIKeyYCVLJXFSMHMHLT-CHHVJCJISA-N
MW238.24 g/mol
LogP2.21
Rot. Bonds3

About N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 9234157) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID9234157
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-7(15-16-12(17)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8H,2-3H2,1H3,(H,16,17)/b15-7-
InChIKeyYCVLJXFSMHMHLT-CHHVJCJISA-N
XLogP2.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide (CID 9234157) is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N/NC(=O)C1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is YCVLJXFSMHMHLT-CHHVJCJISA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7(15-16-12(17)8-2-3-8)9-4-5-10(13)11(14)6-9/h4-6,8H,2-3H2,1H3,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 238.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9234157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).