2,5-dichloro-N-(1-cyanoethyl)benzamide

C10H8Cl2N2O — CID 61121833

IUPAC2,5-dichloro-N-(1-cyanoethyl)benzamide
SMILESCC(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-6(5-13)14-10(15)8-4-7(11)2-3-9(8)12/h2-4,6H,1H3,(H,14,15)
InChIKeyQQOYQZDNOQHFKA-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.64
Rot. Bonds2

About 2,5-dichloro-N-(1-cyanoethyl)benzamide

2,5-dichloro-N-(1-cyanoethyl)benzamide (PubChem CID 61121833) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-cyanoethyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-cyanoethyl)benzamide
PubChem CID61121833
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2,5-dichloro-N-(1-cyanoethyl)benzamide
SMILESCC(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-6(5-13)14-10(15)8-4-7(11)2-3-9(8)12/h2-4,6H,1H3,(H,14,15)
InChIKeyQQOYQZDNOQHFKA-UHFFFAOYSA-N
XLogP2.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
3-(2,5-dichlorophenyl)-2-methyl-3-oxopropanenitrile
CID 43157311
5-chloro-N-(1-cyano-2-methylpropyl)-2-methylbenzamide
CID 113329999
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
3-chloro-N-(1-cyanoethyl)-4-methylbenzamide
CID 63195497
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-cyanoethyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-cyanoethyl)benzamide (CID 61121833) is 2,5-dichloro-N-(1-cyanoethyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-cyanoethyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-cyanoethyl)benzamide is CC(C#N)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-cyanoethyl)benzamide?
The InChIKey is QQOYQZDNOQHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6(5-13)14-10(15)8-4-7(11)2-3-9(8)12/h2-4,6H,1H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(1-cyanoethyl)benzamide?
2,5-dichloro-N-(1-cyanoethyl)benzamide has a molecular weight of 243.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-cyanoethyl)benzamide is sourced from PubChem (CID 61121833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).