N-[(E)-(4-bromophenyl)methylideneamino]heptanamide

C14H19BrN2O — CID 5331555

IUPACN-[(E)-(4-bromophenyl)methylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-3-4-5-6-14(18)17-16-11-12-7-9-13(15)10-8-12/h7-11H,2-6H2,1H3,(H,17,18)/b16-11+
InChIKeyJCDGTIMEMIHCRW-LFIBNONCSA-N
MW311.22 g/mol
LogP3.87
Rot. Bonds7

About N-[(E)-(4-bromophenyl)methylideneamino]heptanamide

N-[(E)-(4-bromophenyl)methylideneamino]heptanamide (PubChem CID 5331555) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]heptanamide
PubChem CID5331555
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-3-4-5-6-14(18)17-16-11-12-7-9-13(15)10-8-12/h7-11H,2-6H2,1H3,(H,17,18)/b16-11+
InChIKeyJCDGTIMEMIHCRW-LFIBNONCSA-N
XLogP3.87
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]heptanamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]heptanamide (CID 5331555) is N-[(E)-(4-bromophenyl)methylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]heptanamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]heptanamide is CCCCCCC(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]heptanamide?
The InChIKey is JCDGTIMEMIHCRW-LFIBNONCSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-3-4-5-6-14(18)17-16-11-12-7-9-13(15)10-8-12/h7-11H,2-6H2,1H3,(H,17,18)/b16-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]heptanamide?
N-[(E)-(4-bromophenyl)methylideneamino]heptanamide has a molecular weight of 311.22 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]heptanamide is sourced from PubChem (CID 5331555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).