N-[1-(3-bromophenyl)ethylidene]butanamide

C12H14BrNO — CID 89273073

IUPACN-[1-(3-bromophenyl)ethylidene]butanamide
SMILESCCCC(=O)/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-8H,3,5H2,1-2H3/b14-9+
InChIKeyYSYDEBJMNLVWKH-NTEUORMPSA-N
MW268.15 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(3-bromophenyl)ethylidene]butanamide

N-[1-(3-bromophenyl)ethylidene]butanamide (PubChem CID 89273073) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethylidene]butanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethylidene]butanamide
PubChem CID89273073
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-[1-(3-bromophenyl)ethylidene]butanamide
SMILESCCCC(=O)/N=C(\C)c1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-8H,3,5H2,1-2H3/b14-9+
InChIKeyYSYDEBJMNLVWKH-NTEUORMPSA-N
XLogP3.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)butan-1-one
CID 18417701
N,N'-bis[1-(3-bromophenyl)ethylideneamino]pentanediamide
CID 4580556
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
CID 145243332
N-[(E)-1-(3-bromophenyl)ethylideneamino]undecanamide
CID 19685706
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
1-(3-bromophenyl)dodecan-1-one
CID 146009457
3-bromo-N-sulfanylidenebenzamide
CID 58039708
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
3-bromobenzoic acid;ethane
CID 143530590
3-bromo-N-[1-(3-methylphenyl)ethylideneamino]benzamide
CID 3319660
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
3-bromoaniline;butanoic acid
CID 162142534

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethylidene]butanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethylidene]butanamide (CID 89273073) is N-[1-(3-bromophenyl)ethylidene]butanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethylidene]butanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethylidene]butanamide is CCCC(=O)/N=C(\C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethylidene]butanamide?
The InChIKey is YSYDEBJMNLVWKH-NTEUORMPSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-3-5-12(15)14-9(2)10-6-4-7-11(13)8-10/h4,6-8H,3,5H2,1-2H3/b14-9+.
What are the key properties of N-[1-(3-bromophenyl)ethylidene]butanamide?
N-[1-(3-bromophenyl)ethylidene]butanamide has a molecular weight of 268.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethylidene]butanamide is sourced from PubChem (CID 89273073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).