5-chloro-2-(3-cyanopropoxy)benzamide

C11H11ClN2O2 — CID 45257682

IUPAC5-chloro-2-(3-cyanopropoxy)benzamide
SMILESN#CCCCOc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C11H11ClN2O2/c12-8-3-4-10(9(7-8)11(14)15)16-6-2-1-5-13/h3-4,7H,1-2,6H2,(H2,14,15)
InChIKeyLCEAHJRYNFXZLX-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.12
Rot. Bonds5

About 5-chloro-2-(3-cyanopropoxy)benzamide

5-chloro-2-(3-cyanopropoxy)benzamide (PubChem CID 45257682) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-chloro-2-(3-cyanopropoxy)benzamide.

Molecular Properties

Compound Name5-chloro-2-(3-cyanopropoxy)benzamide
PubChem CID45257682
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name5-chloro-2-(3-cyanopropoxy)benzamide
SMILESN#CCCCOc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C11H11ClN2O2/c12-8-3-4-10(9(7-8)11(14)15)16-6-2-1-5-13/h3-4,7H,1-2,6H2,(H2,14,15)
InChIKeyLCEAHJRYNFXZLX-UHFFFAOYSA-N
XLogP2.12
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-cyanopropoxy)benzoic acid
CID 43380002
5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
CID 46607988
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
5-chloro-2-(2-methoxy-2-phenylethoxy)benzamide
CID 141125066
5-chloro-2-[(E)-3-phenylprop-2-enoxy]benzamide
CID 27266848
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
4-(3-cyanopropoxy)-3-nitrobenzamide
CID 56636940
5-(2-acetyl-4-chlorophenoxy)-2,2-dimethylpentanenitrile
CID 65255690
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
CID 46607912
5-chloro-2-[2-(3-nitrophenoxy)ethoxy]benzamide
CID 52618493
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-cyanopropoxy)benzamide?
The IUPAC name of 5-chloro-2-(3-cyanopropoxy)benzamide (CID 45257682) is 5-chloro-2-(3-cyanopropoxy)benzamide.
What is the SMILES notation for 5-chloro-2-(3-cyanopropoxy)benzamide?
The canonical SMILES for 5-chloro-2-(3-cyanopropoxy)benzamide is N#CCCCOc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-(3-cyanopropoxy)benzamide?
The InChIKey is LCEAHJRYNFXZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-8-3-4-10(9(7-8)11(14)15)16-6-2-1-5-13/h3-4,7H,1-2,6H2,(H2,14,15).
What are the key properties of 5-chloro-2-(3-cyanopropoxy)benzamide?
5-chloro-2-(3-cyanopropoxy)benzamide has a molecular weight of 238.67 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-cyanopropoxy)benzamide is sourced from PubChem (CID 45257682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).