2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide

C12H12Cl2N2O — CID 55101832

IUPAC2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
SMILESCCC(CC#N)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-2-8(6-7-15)16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,16,17)
InChIKeyIEBDIZDPUQGREE-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.42
Rot. Bonds4

About 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide

2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide (PubChem CID 55101832) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
PubChem CID55101832
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
SMILESCCC(CC#N)NC(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-2-8(6-7-15)16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,16,17)
InChIKeyIEBDIZDPUQGREE-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-[(2R)-1-cyanobutan-2-yl]-2,3-dihydroxybenzamide
CID 124571494
4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
2-chloro-3-fluoro-N-hex-5-yn-3-ylbenzamide
CID 115660004
5-chloro-N-(1-cyanobutan-2-yl)-2-hydroxybenzamide
CID 62647939
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-amino-4-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 55179032
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide
CID 125421842
3-chloro-N-(1-cyanobutan-2-yl)-4-methylbenzamide
CID 63195232
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
5-bromo-N-(1-cyanobutan-2-yl)-2-methylbenzamide
CID 65308104

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide (CID 55101832) is 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide is CCC(CC#N)NC(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide?
The InChIKey is IEBDIZDPUQGREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-2-8(6-7-15)16-12(17)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6H2,1H3,(H,16,17).
What are the key properties of 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide?
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide has a molecular weight of 271.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide is sourced from PubChem (CID 55101832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).