N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide

C11H11BrN2O — CID 5394876

IUPACN-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H11BrN2O/c12-10-5-1-8(2-6-10)7-13-14-11(15)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,14,15)/b13-7-
InChIKeyKFPHZICFUATLRD-QPEQYQDCSA-N
MW267.13 g/mol
LogP2.31
Rot. Bonds3

About N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 5394876) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID5394876
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C\c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C11H11BrN2O/c12-10-5-1-8(2-6-10)7-13-14-11(15)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,14,15)/b13-7-
InChIKeyKFPHZICFUATLRD-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-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
(1R,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 6738899
(1S,4Z,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 7348527
1-[(4-bromophenyl)methyl]-N-[(Z)-(4-hydroxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 136896468
1-[(4-bromophenyl)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 135765224
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
1-[(4-bromophenyl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]piperidin-1-ium-4-carboxamide
CID 6978967
1-[(4-bromophenyl)methyl]-N-[(4-propan-2-ylphenyl)methylideneamino]piperidine-4-carboxamide
CID 1272047
1-[(4-bromophenyl)methyl]-N-(pyridin-4-ylmethylideneamino)piperidine-4-carboxamide
CID 1275412

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide (CID 5394876) is N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C\c1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is KFPHZICFUATLRD-QPEQYQDCSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-10-5-1-8(2-6-10)7-13-14-11(15)9-3-4-9/h1-2,5-7,9H,3-4H2,(H,14,15)/b13-7-.
What are the key properties of N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(4-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)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5394876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).