N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide

C14H17BrN2O — CID 6079987

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-13-9-5-4-8-12(13)10-16-17-14(18)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,18)/b16-10-
InChIKeyAEPVTHYOLAHUJI-YBEGLDIGSA-N
MW309.21 g/mol
LogP3.48
Rot. Bonds3

About N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide

N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide (PubChem CID 6079987) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
PubChem CID6079987
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C\c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-13-9-5-4-8-12(13)10-16-17-14(18)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,18)/b16-10-
InChIKeyAEPVTHYOLAHUJI-YBEGLDIGSA-N
XLogP3.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.48
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

2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
(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-[(4-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 922325
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 135615209
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907933
2-(azepan-1-yl)-N-[(E)-(2-bromophenyl)methylideneamino]acetamide
CID 6894512
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide (CID 6079987) is N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide is O=C(N/N=C\c1ccccc1Br)C1CCCCC1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is AEPVTHYOLAHUJI-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-13-9-5-4-8-12(13)10-16-17-14(18)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide?
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 6079987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).