N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide

C17H15ClFNO — CID 114302053

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-10-12-5-1-2-7-14(12)17(15)20-16(21)9-11-4-3-6-13(19)8-11/h1-8,15,17H,9-10H2,(H,20,21)
InChIKeyDSTXXSROWKBPPB-UHFFFAOYSA-N
MW303.76 g/mol
LogP3.39
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide (PubChem CID 114302053) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
PubChem CID114302053
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NC1c2ccccc2CC1Cl
InChIInChI=1S/C17H15ClFNO/c18-15-10-12-5-1-2-7-14(12)17(15)20-16(21)9-11-4-3-6-13(19)8-11/h1-8,15,17H,9-10H2,(H,20,21)
InChIKeyDSTXXSROWKBPPB-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide 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

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 114302037
2-(3-fluorophenyl)-N-[2-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-oxoethyl]acetamide
CID 136512279
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-fluorobenzamide
CID 114302198
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(3-fluorophenyl)acetamide
CID 166359291
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-phenylsulfanylacetamide
CID 114302120
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
CID 114296854
(2R,3R,4R,5R)-2,5-bis[(3-fluorophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide
CID 11331426
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110903629

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide (CID 114302053) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NC1c2ccccc2CC1Cl.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide?
The InChIKey is DSTXXSROWKBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c18-15-10-12-5-1-2-7-14(12)17(15)20-16(21)9-11-4-3-6-13(19)8-11/h1-8,15,17H,9-10H2,(H,20,21).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide has a molecular weight of 303.76 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 114302053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).