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

C9H8BrN3O — CID 58118512

IUPAC2-(4-bromo-2-cyanoanilino)acetamide
SMILESN#Cc1cc(Br)ccc1NCC(N)=O
InChIInChI=1S/C9H8BrN3O/c10-7-1-2-8(6(3-7)4-11)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14)
InChIKeyGWGRJDHQQVFIBP-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.22
Rot. Bonds3

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

2-(4-bromo-2-cyanoanilino)acetamide (PubChem CID 58118512) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 2-(4-bromo-2-cyanoanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyanoanilino)acetamide
PubChem CID58118512
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name2-(4-bromo-2-cyanoanilino)acetamide
SMILESN#Cc1cc(Br)ccc1NCC(N)=O
InChIInChI=1S/C9H8BrN3O/c10-7-1-2-8(6(3-7)4-11)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14)
InChIKeyGWGRJDHQQVFIBP-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-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
CID 78994184
3-(4-bromo-2-cyanoanilino)-2-hydroxypropanamide
CID 106170818
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
2-(2-bromo-4-cyanoanilino)acetamide
CID 82797706
4-(4-bromo-2-cyanoanilino)butanoic acid
CID 82708343
N-[2-(4-bromo-2-cyanoanilino)ethyl]acetamide
CID 75519932
5-[(4-bromo-2-cyanoanilino)methyl]thiophene-3-carboxamide
CID 82707727
2-[3-[(4-bromo-2-cyanoanilino)methyl]phenoxy]acetamide
CID 133463538
2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
CID 107798022
4-[(4-bromo-2-cyanoanilino)methyl]-3-methylbenzamide
CID 114480636

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyanoanilino)acetamide?
The IUPAC name of 2-(4-bromo-2-cyanoanilino)acetamide (CID 58118512) is 2-(4-bromo-2-cyanoanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyanoanilino)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyanoanilino)acetamide is N#Cc1cc(Br)ccc1NCC(N)=O.
What is the InChIKey of 2-(4-bromo-2-cyanoanilino)acetamide?
The InChIKey is GWGRJDHQQVFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-7-1-2-8(6(3-7)4-11)13-5-9(12)14/h1-3,13H,5H2,(H2,12,14).
What are the key properties of 2-(4-bromo-2-cyanoanilino)acetamide?
2-(4-bromo-2-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-(4-bromo-2-cyanoanilino)acetamide is sourced from PubChem (CID 58118512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).