2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide

C12H13ClFNO — CID 166430303

IUPAC2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(F)c2c1CCC2
InChIInChI=1S/C12H13ClFNO/c13-6-12(16)15-7-8-4-5-11(14)10-3-1-2-9(8)10/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyKUARAWNXCFAGIV-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.17
Rot. Bonds3

About 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide

2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide (PubChem CID 166430303) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide
PubChem CID166430303
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(F)c2c1CCC2
InChIInChI=1S/C12H13ClFNO/c13-6-12(16)15-7-8-4-5-11(14)10-3-1-2-9(8)10/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyKUARAWNXCFAGIV-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1-fluoronaphthalen-2-yl)methyl]acetamide
CID 166415097
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
2-chloro-N-[(4-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166429838
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
CID 166408399
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162022
N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide (CID 166430303) is 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide is O=C(CCl)NCc1ccc(F)c2c1CCC2.
What is the InChIKey of 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide?
The InChIKey is KUARAWNXCFAGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-6-12(16)15-7-8-4-5-11(14)10-3-1-2-9(8)10/h4-5H,1-3,6-7H2,(H,15,16).
What are the key properties of 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide?
2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide has a molecular weight of 241.69 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)methyl]acetamide is sourced from PubChem (CID 166430303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).