N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide

C12H13FN2O — CID 6078923

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-8(9-4-6-11(13)7-5-9)14-15-12(16)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16)/b14-8-
InChIKeyHWRDYQXJJBCTSQ-ZSOIEALJSA-N
MW220.25 g/mol
LogP2.08
Rot. Bonds3

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 6078923) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID6078923
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O/c1-8(9-4-6-11(13)7-5-9)14-15-12(16)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16)/b14-8-
InChIKeyHWRDYQXJJBCTSQ-ZSOIEALJSA-N
XLogP2.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.08
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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Related Compounds

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 136690060
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 5183602
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826199

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide (CID 6078923) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N/NC(=O)C1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is HWRDYQXJJBCTSQ-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8(9-4-6-11(13)7-5-9)14-15-12(16)10-2-3-10/h4-7,10H,2-3H2,1H3,(H,15,16)/b14-8-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 220.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6078923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).