2-chloro-N-(3-cyanopropyl)benzamide

C11H11ClN2O — CID 62666629

IUPAC2-chloro-N-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c12-10-6-2-1-5-9(10)11(15)14-8-4-3-7-13/h1-2,5-6H,3-4,8H2,(H,14,15)
InChIKeyWWJJAFSZELCAMM-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-N-(3-cyanopropyl)benzamide

2-chloro-N-(3-cyanopropyl)benzamide (PubChem CID 62666629) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanopropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanopropyl)benzamide
PubChem CID62666629
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-N-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O/c12-10-6-2-1-5-9(10)11(15)14-8-4-3-7-13/h1-2,5-6H,3-4,8H2,(H,14,15)
InChIKeyWWJJAFSZELCAMM-UHFFFAOYSA-N
XLogP2.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
N-(3-cyanopropyl)benzamide
CID 62666234
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
2-chloro-N-(4-cyanobutyl)-5-hydroxybenzamide
CID 106501017
4-[(2-chlorobenzoyl)amino]butanoate
CID 7024884
2-chloro-N-undecylbenzamide
CID 3373978
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
CID 55101985
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanopropyl)benzamide?
The IUPAC name of 2-chloro-N-(3-cyanopropyl)benzamide (CID 62666629) is 2-chloro-N-(3-cyanopropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanopropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-cyanopropyl)benzamide is N#CCCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-cyanopropyl)benzamide?
The InChIKey is WWJJAFSZELCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-6-2-1-5-9(10)11(15)14-8-4-3-7-13/h1-2,5-6H,3-4,8H2,(H,14,15).
What are the key properties of 2-chloro-N-(3-cyanopropyl)benzamide?
2-chloro-N-(3-cyanopropyl)benzamide has a molecular weight of 222.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanopropyl)benzamide is sourced from PubChem (CID 62666629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).