2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide

C12H12Cl2N2O — CID 51089510

IUPAC2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)16-11(17)9-6-8(13)4-5-10(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyLUORUKBOOZUBGI-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.42
Rot. Bonds3

About 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide

2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide (PubChem CID 51089510) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
PubChem CID51089510
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
SMILESCCC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)16-11(17)9-6-8(13)4-5-10(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyLUORUKBOOZUBGI-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
3-chloro-N-(2-cyanobutan-2-yl)-2-fluorobenzamide
CID 80998996
4-chloro-N-(2-cyanobutan-2-yl)-6-methylpyridine-3-carboxamide
CID 113347503
N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
CID 107721985
4-bromo-3-chloro-N-(2-cyanobutan-2-yl)benzamide
CID 80998085
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
N-(2-cyanobutan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 61120957
3-chloro-N-(2-cyanobutan-2-yl)-4-nitrobenzamide
CID 103873377
N-(2-cyanobutan-2-yl)-2,4,6-trifluorobenzamide
CID 65098822
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide (CID 51089510) is 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide is CCC(C)(C#N)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide?
The InChIKey is LUORUKBOOZUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-3-12(2,7-15)16-11(17)9-6-8(13)4-5-10(9)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide?
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide has a molecular weight of 271.15 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide is sourced from PubChem (CID 51089510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).