2-(4-bromo-2-cyano-N-ethylanilino)acetamide

C11H12BrN3O — CID 103102407

IUPAC2-(4-bromo-2-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O/c1-2-15(7-11(14)16)10-4-3-9(12)5-8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyHCPYMTONMJDIDB-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.63
Rot. Bonds4

About 2-(4-bromo-2-cyano-N-ethylanilino)acetamide

2-(4-bromo-2-cyano-N-ethylanilino)acetamide (PubChem CID 103102407) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(4-bromo-2-cyano-N-ethylanilino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-cyano-N-ethylanilino)acetamide
PubChem CID103102407
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(4-bromo-2-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(Br)cc1C#N
InChIInChI=1S/C11H12BrN3O/c1-2-15(7-11(14)16)10-4-3-9(12)5-8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyHCPYMTONMJDIDB-UHFFFAOYSA-N
XLogP1.63
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminophenyl)methyl-ethylamino]-5-bromobenzonitrile
CID 114895090
N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
CID 59418663
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
2-(N-(2-amino-2-oxoethyl)-2-cyano-4-formylanilino)acetamide
CID 114063273
2-[2-cyano-4-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 63669381
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
2-(2-cyano-N,4-dimethylanilino)acetamide
CID 107927039
5-bromo-2-[propyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 114890593
methyl 3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103939
2-(3-chloro-2-cyano-N-ethylanilino)acetamide
CID 103102393
3-(4-bromo-2-cyano-N-methylanilino)-2-methylpropanoic acid
CID 114890044

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-cyano-N-ethylanilino)acetamide?
The IUPAC name of 2-(4-bromo-2-cyano-N-ethylanilino)acetamide (CID 103102407) is 2-(4-bromo-2-cyano-N-ethylanilino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-cyano-N-ethylanilino)acetamide?
The canonical SMILES for 2-(4-bromo-2-cyano-N-ethylanilino)acetamide is CCN(CC(N)=O)c1ccc(Br)cc1C#N.
What is the InChIKey of 2-(4-bromo-2-cyano-N-ethylanilino)acetamide?
The InChIKey is HCPYMTONMJDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-15(7-11(14)16)10-4-3-9(12)5-8(10)6-13/h3-5H,2,7H2,1H3,(H2,14,16).
What are the key properties of 2-(4-bromo-2-cyano-N-ethylanilino)acetamide?
2-(4-bromo-2-cyano-N-ethylanilino)acetamide has a molecular weight of 282.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-cyano-N-ethylanilino)acetamide is sourced from PubChem (CID 103102407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).