2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide

C19H17F2N3O — CID 167875853

IUPAC2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
SMILESNc1cccc2c1ccn2CC(=O)NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H17F2N3O/c20-13-8-12(9-14(21)10-13)19(5-6-19)23-18(25)11-24-7-4-15-16(22)2-1-3-17(15)24/h1-4,7-10H,5-6,11,22H2,(H,23,25)
InChIKeyRBFFGDOPRDWEAY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide

2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide (PubChem CID 167875853) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
PubChem CID167875853
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide
SMILESNc1cccc2c1ccn2CC(=O)NC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C19H17F2N3O/c20-13-8-12(9-14(21)10-13)19(5-6-19)23-18(25)11-24-7-4-15-16(22)2-1-3-17(15)24/h1-4,7-10H,5-6,11,22H2,(H,23,25)
InChIKeyRBFFGDOPRDWEAY-UHFFFAOYSA-N
XLogP3.31
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]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-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The IUPAC name of 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide (CID 167875853) is 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The canonical SMILES for 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide is Nc1cccc2c1ccn2CC(=O)NC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
The InChIKey is RBFFGDOPRDWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-13-8-12(9-14(21)10-13)19(5-6-19)23-18(25)11-24-7-4-15-16(22)2-1-3-17(15)24/h1-4,7-10H,5-6,11,22H2,(H,23,25).
What are the key properties of 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide?
2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide has a molecular weight of 341.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoindol-1-yl)-N-[1-(3,5-difluorophenyl)cyclopropyl]acetamide is sourced from PubChem (CID 167875853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).