N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide

C11H11BrN2O — CID 5414194

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C1CC1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-2-8(6-10)7-13-14-11(15)9-4-5-9/h1-3,6-7,9H,4-5H2,(H,14,15)/b13-7-
InChIKeyNQCXDUHIGMTYKV-QPEQYQDCSA-N
MW267.13 g/mol
LogP2.31
Rot. Bonds3

About N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5414194) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5414194
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C1CC1
InChIInChI=1S/C11H11BrN2O/c12-10-3-1-2-8(6-10)7-13-14-11(15)9-4-5-9/h1-3,6-7,9H,4-5H2,(H,14,15)/b13-7-
InChIKeyNQCXDUHIGMTYKV-QPEQYQDCSA-N
XLogP2.31
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.31
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)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 6283209
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
N-[(3-hydroxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 966794
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-cyclohexyloxamide
CID 94844326
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide (CID 5414194) is N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C\c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is NQCXDUHIGMTYKV-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-3-1-2-8(6-10)7-13-14-11(15)9-4-5-9/h1-3,6-7,9H,4-5H2,(H,14,15)/b13-7-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 267.13 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5414194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).