2-(2-bromo-4-cyanoanilino)acetamide

C9H8BrN3O — CID 82797706

IUPAC2-(2-bromo-4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(N)=O)c(Br)c1
InChIInChI=1S/C9H8BrN3O/c10-7-3-6(4-11)1-2-8(7)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14)
InChIKeyHKKUHXZGDZTLRN-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-bromo-4-cyanoanilino)acetamide

2-(2-bromo-4-cyanoanilino)acetamide (PubChem CID 82797706) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-(2-bromo-4-cyanoanilino)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-cyanoanilino)acetamide
PubChem CID82797706
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name2-(2-bromo-4-cyanoanilino)acetamide
SMILESN#Cc1ccc(NCC(N)=O)c(Br)c1
InChIInChI=1S/C9H8BrN3O/c10-7-3-6(4-11)1-2-8(7)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14)
InChIKeyHKKUHXZGDZTLRN-UHFFFAOYSA-N
XLogP1.22
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-cyanoanilino)-N-phenylacetamide
CID 107789540
2-(2-bromo-4-cyanoanilino)-N-ethyl-N-methylacetamide
CID 104925790
ethyl 2-[(2-bromo-4-cyanoanilino)methyl]prop-2-enoate
CID 107791389
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103865855
2-(2-bromo-4-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 107789712
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
2-(4-bromo-2-cyanoanilino)acetamide
CID 58118512
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-bromo-4-(propylamino)benzonitrile
CID 43722910
3-bromo-4-(prop-2-ynylamino)benzonitrile
CID 63952279
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-cyanoanilino)acetamide?
The IUPAC name of 2-(2-bromo-4-cyanoanilino)acetamide (CID 82797706) is 2-(2-bromo-4-cyanoanilino)acetamide.
What is the SMILES notation for 2-(2-bromo-4-cyanoanilino)acetamide?
The canonical SMILES for 2-(2-bromo-4-cyanoanilino)acetamide is N#Cc1ccc(NCC(N)=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-cyanoanilino)acetamide?
The InChIKey is HKKUHXZGDZTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-7-3-6(4-11)1-2-8(7)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14).
What are the key properties of 2-(2-bromo-4-cyanoanilino)acetamide?
2-(2-bromo-4-cyanoanilino)acetamide has a molecular weight of 254.09 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-cyanoanilino)acetamide is sourced from PubChem (CID 82797706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).