4-bromo-N-[(Z)-butylideneamino]benzamide

C11H13BrN2O — CID 6262530

IUPAC4-bromo-N-[(Z)-butylideneamino]benzamide
SMILESCCC/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-8H,2-3H2,1H3,(H,14,15)/b13-8-
InChIKeyGSUFQGWWVPRRTJ-JYRVWZFOSA-N
MW269.14 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-N-[(Z)-butylideneamino]benzamide

4-bromo-N-[(Z)-butylideneamino]benzamide (PubChem CID 6262530) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-butylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-butylideneamino]benzamide
PubChem CID6262530
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name4-bromo-N-[(Z)-butylideneamino]benzamide
SMILESCCC/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-8H,2-3H2,1H3,(H,14,15)/b13-8-
InChIKeyGSUFQGWWVPRRTJ-JYRVWZFOSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.96
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)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 6146722
4-bromo-N-[(4-ethylphenyl)methylideneamino]benzamide
CID 725933
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
CID 93116099
2-[(4-bromobenzoyl)hydrazinylidene]acetic acid
CID 71833055
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-(butylideneamino)-2-chlorobenzamide
CID 4033779
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide iodide
CID 5334007
N-[(E)-(4-bromophenyl)methylideneamino]-1-methylpyridin-1-ium-4-carboxamide;hydroiodide
CID 126957688
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-butylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-butylideneamino]benzamide (CID 6262530) is 4-bromo-N-[(Z)-butylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-butylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-butylideneamino]benzamide is CCC/C=N\NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-butylideneamino]benzamide?
The InChIKey is GSUFQGWWVPRRTJ-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-8H,2-3H2,1H3,(H,14,15)/b13-8-.
What are the key properties of 4-bromo-N-[(Z)-butylideneamino]benzamide?
4-bromo-N-[(Z)-butylideneamino]benzamide has a molecular weight of 269.14 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-butylideneamino]benzamide is sourced from PubChem (CID 6262530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).