cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

C21H17BrN2O2 — CID 6959158

IUPACcis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-16-8-6-15(7-9-16)20-11-10-17(26-20)13-23-24-21(25)19-12-18(19)14-4-2-1-3-5-14/h1-11,13,18-19H,12H2,(H,24,25)/b23-13-/t18-,19-/m0/s1
InChIKeySRPXAFRGFMAJCD-HNGNLUIFSA-N
MW409.28 g/mol
LogP4.96
Rot. Bonds5

About cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (PubChem CID 6959158) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
PubChem CID6959158
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Namecis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C21H17BrN2O2/c22-16-8-6-15(7-9-16)20-11-10-17(26-20)13-23-24-21(25)19-12-18(19)14-4-2-1-3-5-14/h1-11,13,18-19H,12H2,(H,24,25)/b23-13-/t18-,19-/m0/s1
InChIKeySRPXAFRGFMAJCD-HNGNLUIFSA-N
XLogP4.96
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.96
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

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-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-N-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6587763
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
trans-(1R,2R)-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 137264733
cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
CID 40735098
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropane-1-carboxamide
CID 129438948
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
(3S,4S)-N-[[5-(3-bromophenyl)furan-2-yl]methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 11879923

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide (CID 6959158) is cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SRPXAFRGFMAJCD-HNGNLUIFSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-16-8-6-15(7-9-16)20-11-10-17(26-20)13-23-24-21(25)19-12-18(19)14-4-2-1-3-5-14/h1-11,13,18-19H,12H2,(H,24,25)/b23-13-/t18-,19-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 409.28 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6959158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).