N-(4-bromophenyl)-2-cyanobutanamide

C11H11BrN2O — CID 55207882

IUPACN-(4-bromophenyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyGHRLFXUFPZASNZ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.94
Rot. Bonds3

About N-(4-bromophenyl)-2-cyanobutanamide

N-(4-bromophenyl)-2-cyanobutanamide (PubChem CID 55207882) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-cyanobutanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-cyanobutanamide
PubChem CID55207882
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC NameN-(4-bromophenyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2H2,1H3,(H,14,15)
InChIKeyGHRLFXUFPZASNZ-UHFFFAOYSA-N
XLogP2.94
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2S)-2-amino-N-(4-bromophenyl)-2-cyanoacetamide
CID 97104438
2-cyano-N-(3-hydroxyphenyl)butanamide
CID 107857394
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
1-(4-bromophenyl)-3-[(2R)-2-cyanopropyl]urea
CID 95975275

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-cyanobutanamide?
The IUPAC name of N-(4-bromophenyl)-2-cyanobutanamide (CID 55207882) is N-(4-bromophenyl)-2-cyanobutanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-cyanobutanamide?
The canonical SMILES for N-(4-bromophenyl)-2-cyanobutanamide is CCC(C#N)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-cyanobutanamide?
The InChIKey is GHRLFXUFPZASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-2-8(7-13)11(15)14-10-5-3-9(12)4-6-10/h3-6,8H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-bromophenyl)-2-cyanobutanamide?
N-(4-bromophenyl)-2-cyanobutanamide has a molecular weight of 267.13 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-cyanobutanamide is sourced from PubChem (CID 55207882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).