5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one

C17H13ClFNO2 — CID 149240871

IUPAC5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one
SMILESNc1cc(Cl)c(F)cc1CC(=O)c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C17H13ClFNO2/c18-14-8-16(20)12(6-15(14)19)7-17(22)10-2-1-9-4-13(21)5-11(9)3-10/h1-3,6,8H,4-5,7,20H2
InChIKeyXMDVPBSLJUCBNZ-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.15
Rot. Bonds3

About 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one

5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one (PubChem CID 149240871) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one
PubChem CID149240871
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one
SMILESNc1cc(Cl)c(F)cc1CC(=O)c1ccc2c(c1)CC(=O)C2
InChIInChI=1S/C17H13ClFNO2/c18-14-8-16(20)12(6-15(14)19)7-17(22)10-2-1-9-4-13(21)5-11(9)3-10/h1-3,6,8H,4-5,7,20H2
InChIKeyXMDVPBSLJUCBNZ-UHFFFAOYSA-N
XLogP3.15
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one 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-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115797451
1-(3-amino-4-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052274
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
1-(4-chloro-3-fluorophenyl)butan-1-one
CID 70297429
1-(3-chloro-4-fluorophenyl)butan-1-one
CID 63093976
2-[(4-chlorophenyl)methyl]-8-(2-hydroxyacetyl)-3,5-dihydro-1H-2-benzazepin-4-one
CID 147678935

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one (CID 149240871) is 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one is Nc1cc(Cl)c(F)cc1CC(=O)c1ccc2c(c1)CC(=O)C2.
What is the InChIKey of 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one?
The InChIKey is XMDVPBSLJUCBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c18-14-8-16(20)12(6-15(14)19)7-17(22)10-2-1-9-4-13(21)5-11(9)3-10/h1-3,6,8H,4-5,7,20H2.
What are the key properties of 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one?
5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one has a molecular weight of 317.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-amino-4-chloro-5-fluorophenyl)acetyl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 149240871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).