2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide

C14H15ClFN3O — CID 47123731

IUPAC2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CNc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H15ClFN3O/c1-14(8-17,9-5-6-9)19-12(20)7-18-11-4-2-3-10(15)13(11)16/h2-4,9,18H,5-7H2,1H3,(H,19,20)
InChIKeyPEXBJFJYVFBFCW-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide

2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide (PubChem CID 47123731) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
PubChem CID47123731
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
SMILESCC(C#N)(NC(=O)CNc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C14H15ClFN3O/c1-14(8-17,9-5-6-9)19-12(20)7-18-11-4-2-3-10(15)13(11)16/h2-4,9,18H,5-7H2,1H3,(H,19,20)
InChIKeyPEXBJFJYVFBFCW-UHFFFAOYSA-N
XLogP2.70
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide (CID 47123731) is 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide is CC(C#N)(NC(=O)CNc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
The InChIKey is PEXBJFJYVFBFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-14(8-17,9-5-6-9)19-12(20)7-18-11-4-2-3-10(15)13(11)16/h2-4,9,18H,5-7H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide?
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide has a molecular weight of 295.74 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide is sourced from PubChem (CID 47123731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).