N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide

C12H12Cl2N2O — CID 63047177

IUPACN-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)8-12(17)16-6-2-1-5-15/h3-4,7H,1-2,6,8H2,(H,16,17)
InChIKeyCIPZFHSWKMCQEY-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.96
Rot. Bonds5

About N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide

N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 63047177) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID63047177
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC NameN-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide
SMILESN#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)8-12(17)16-6-2-1-5-15/h3-4,7H,1-2,6,8H2,(H,16,17)
InChIKeyCIPZFHSWKMCQEY-UHFFFAOYSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.96
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-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
N-(3-bromopropyl)-2-(3,4-dichlorophenyl)acetamide
CID 63047188
N-(3-aminopropyl)-2-(3,4-dichlorophenyl)acetamide;hydrochloride
CID 119407523
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide (CID 63047177) is N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide is N#CCCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is CIPZFHSWKMCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-10-4-3-9(7-11(10)14)8-12(17)16-6-2-1-5-15/h3-4,7H,1-2,6,8H2,(H,16,17).
What are the key properties of N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide?
N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 271.15 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 63047177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).