2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide

C12H13ClN2O — CID 62665870

IUPAC2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c13-11-6-2-1-5-10(11)9-12(16)15-8-4-3-7-14/h1-2,5-6H,3-4,8-9H2,(H,15,16)
InChIKeyMYSPSNCBMFYOGN-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide

2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide (PubChem CID 62665870) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
PubChem CID62665870
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c13-11-6-2-1-5-10(11)9-12(16)15-8-4-3-7-14/h1-2,5-6H,3-4,8-9H2,(H,15,16)
InChIKeyMYSPSNCBMFYOGN-UHFFFAOYSA-N
XLogP2.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.30
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-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047177
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
CID 115977322
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
5-[(2-chlorophenyl)methylamino]pentanenitrile
CID 60688443
N-(4-cyanobutyl)-2-(2-methoxyphenyl)acetamide
CID 63284741
N-(4-amino-4-hydroxyiminobutyl)-2-(2-chlorophenyl)acetamide
CID 76953220
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
N-(3-cyanopropyl)benzamide
CID 62666234
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide (CID 62665870) is 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide?
The InChIKey is MYSPSNCBMFYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-11-6-2-1-5-10(11)9-12(16)15-8-4-3-7-14/h1-2,5-6H,3-4,8-9H2,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide?
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide has a molecular weight of 236.70 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide is sourced from PubChem (CID 62665870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).