N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide

C19H29BrN2O — CID 19685706

IUPACN-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O/c1-3-4-5-6-7-8-9-10-14-19(23)22-21-16(2)17-12-11-13-18(20)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,22,23)/b21-16+
InChIKeyGCDQOKKBFQJCGF-LTGZKZEYSA-N
MW381.36 g/mol
LogP5.82
Rot. Bonds11

About N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide

N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide (PubChem CID 19685706) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide.

Molecular Properties

Compound NameN-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
PubChem CID19685706
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC NameN-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
SMILESCCCCCCCCCCC(=O)N/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O/c1-3-4-5-6-7-8-9-10-14-19(23)22-21-16(2)17-12-11-13-18(20)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,22,23)/b21-16+
InChIKeyGCDQOKKBFQJCGF-LTGZKZEYSA-N
XLogP5.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.82
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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Related Compounds

N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]decanamide
CID 19685450
4-[3-[(Z)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-4-oxobutanoic acid
CID 6261061
N-[1-(3,4-dimethylphenyl)ethylideneamino]undecanamide
CID 3644436
4-chloro-N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 4280709
N,N'-bis[1-(3-methylphenyl)ethylideneamino]hexanediamide
CID 4173231
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]dodecanamide
CID 6059481
6-[[(E)-1-(3-bromophenyl)ethylideneamino]carbamothioylamino]-N-hydroxyhexanamide
CID 162670836
N,N'-bis[1-(4-bromophenyl)ethylideneamino]heptanediamide
CID 4582452
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide?
The IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide (CID 19685706) is N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide.
What is the SMILES notation for N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide?
The canonical SMILES for N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide is CCCCCCCCCCC(=O)N/N=C(\C)c1cccc(Br)c1.
What is the InChIKey of N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide?
The InChIKey is GCDQOKKBFQJCGF-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H29BrN2O/c1-3-4-5-6-7-8-9-10-14-19(23)22-21-16(2)17-12-11-13-18(20)15-17/h11-13,15H,3-10,14H2,1-2H3,(H,22,23)/b21-16+.
What are the key properties of N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide?
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide has a molecular weight of 381.36 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide is sourced from PubChem (CID 19685706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).