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

C11H10Cl2N2O — CID 61119464

IUPAC2,5-dichloro-N-(1-cyanopropyl)benzamide
SMILESCCC(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-2-8(6-14)15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2H2,1H3,(H,15,16)
InChIKeyORRBNRXPILZVTL-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.03
Rot. Bonds3

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

2,5-dichloro-N-(1-cyanopropyl)benzamide (PubChem CID 61119464) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-cyanopropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-cyanopropyl)benzamide
PubChem CID61119464
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2,5-dichloro-N-(1-cyanopropyl)benzamide
SMILESCCC(C#N)NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-2-8(6-14)15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2H2,1H3,(H,15,16)
InChIKeyORRBNRXPILZVTL-UHFFFAOYSA-N
XLogP3.03
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(1-cyanoethyl)benzamide
CID 61121833
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
CID 61119482
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
5-chloro-N-(1-cyanobutan-2-yl)-2-hydroxybenzamide
CID 62647939
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921
N-(4-bromobutan-2-yl)-2,5-dichlorobenzamide
CID 83179376
2,5-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089510
5-chloro-N-(1-chlorobutan-2-yl)-2-fluorobenzamide
CID 114294205
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-cyanopropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-cyanopropyl)benzamide (CID 61119464) is 2,5-dichloro-N-(1-cyanopropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-cyanopropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-cyanopropyl)benzamide is CCC(C#N)NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-cyanopropyl)benzamide?
The InChIKey is ORRBNRXPILZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-2-8(6-14)15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2H2,1H3,(H,15,16).
What are the key properties of 2,5-dichloro-N-(1-cyanopropyl)benzamide?
2,5-dichloro-N-(1-cyanopropyl)benzamide has a molecular weight of 257.12 g/mol, XLogP of 3.03, 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-(1-cyanopropyl)benzamide is sourced from PubChem (CID 61119464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).