2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide

C13H14ClFN2O — CID 54990812

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-9(7-16)8-17(2)13(18)6-10-11(14)4-3-5-12(10)15/h3-5,9H,6,8H2,1-2H3
InChIKeyUPIXRRMBUDXQAV-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.64
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide

2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide (PubChem CID 54990812) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
PubChem CID54990812
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-9(7-16)8-17(2)13(18)6-10-11(14)4-3-5-12(10)15/h3-5,9H,6,8H2,1-2H3
InChIKeyUPIXRRMBUDXQAV-UHFFFAOYSA-N
XLogP2.64
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704720
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
2-(2-chloro-6-fluorophenyl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 95625361
1-(2-chloro-6-fluorophenyl)-3-hydroxybutan-2-one
CID 103451311
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
CID 47402323
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95322200
ethyl 3-(2-chloro-6-fluorophenyl)-2-cyanopropanoate
CID 80502520
2-(2-chloro-6-fluorophenyl)-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63237562
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64512958

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide (CID 54990812) is 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide is CC(C#N)CN(C)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide?
The InChIKey is UPIXRRMBUDXQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-9(7-16)8-17(2)13(18)6-10-11(14)4-3-5-12(10)15/h3-5,9H,6,8H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide has a molecular weight of 268.72 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide is sourced from PubChem (CID 54990812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).