trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide

C19H19BrN2O2 — CID 7628451

IUPACtrans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide
SMILESCCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-2-24-19(15-9-4-3-5-10-15)12-16(19)18(23)22-21-13-14-8-6-7-11-17(14)20/h3-11,13,16H,2,12H2,1H3,(H,22,23)/b21-13+/t16-,19-/m0/s1
InChIKeyDBJYWEVDTLBXME-DBLWUSGISA-N
MW387.28 g/mol
LogP3.85
Rot. Bonds6

About trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide (PubChem CID 7628451) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide
PubChem CID7628451
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Nametrans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide
SMILESCCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-2-24-19(15-9-4-3-5-10-15)12-16(19)18(23)22-21-13-14-8-6-7-11-17(14)20/h3-11,13,16H,2,12H2,1H3,(H,22,23)/b21-13+/t16-,19-/m0/s1
InChIKeyDBJYWEVDTLBXME-DBLWUSGISA-N
XLogP3.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.85
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-(1S,2S)-2-ethoxy-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7241718
trans-(1R,2R)-N-(benzylideneamino)-2-methoxy-2-phenylcyclopropane-1-carboxamide
CID 129440464
(1R)-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852920
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
(1S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136786083
(4Z,8Z)-N-[(E)-(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 56691529
N-[(2-bromophenyl)methylideneamino]bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 3959146
N-[(Z)-(2-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 5414432
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135478376

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide (CID 7628451) is trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide is CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br.
What is the InChIKey of trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DBJYWEVDTLBXME-DBLWUSGISA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-24-19(15-9-4-3-5-10-15)12-16(19)18(23)22-21-13-14-8-6-7-11-17(14)20/h3-11,13,16H,2,12H2,1H3,(H,22,23)/b21-13+/t16-,19-/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7628451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).