trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

C21H17FN2O2 — CID 6587763

IUPACtrans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2F)o1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-19-9-5-4-8-16(19)20-11-10-15(26-20)13-23-24-21(25)18-12-17(18)14-6-2-1-3-7-14/h1-11,13,17-18H,12H2,(H,24,25)/b23-13-/t17-,18+/m1/s1
InChIKeyFTQMTXLKYAXXCU-LKVJPFRKSA-N
MW348.38 g/mol
LogP4.34
Rot. Bonds5

About trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 6587763) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID6587763
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Nametrans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2F)o1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H17FN2O2/c22-19-9-5-4-8-16(19)20-11-10-15(26-20)13-23-24-21(25)18-12-17(18)14-6-2-1-3-7-14/h1-11,13,17-18H,12H2,(H,24,25)/b23-13-/t17-,18+/m1/s1
InChIKeyFTQMTXLKYAXXCU-LKVJPFRKSA-N
XLogP4.34
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6959158
N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]cyclohexanecarboxamide
CID 9150506
trans-(1S,2S)-2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
CID 11914327
N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3436539
cis-(1S,2R)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40573329
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1S,2R)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7452524

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 6587763) is trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is O=C(N/N=C\c1ccc(-c2ccccc2F)o1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FTQMTXLKYAXXCU-LKVJPFRKSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-19-9-5-4-8-16(19)20-11-10-15(26-20)13-23-24-21(25)18-12-17(18)14-6-2-1-3-7-14/h1-11,13,17-18H,12H2,(H,24,25)/b23-13-/t17-,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6587763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).