2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide

C12H12ClF2NO2 — CID 167906269

IUPAC2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(CCl)N[C@H]1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C12H12ClF2NO2/c13-6-11(17)16-10-4-2-7-1-3-8(5-9(7)10)18-12(14)15/h1,3,5,10,12H,2,4,6H2,(H,16,17)/t10-/m0/s1
InChIKeyVOECVWRBXKBBCR-JTQLQIEISA-N
MW275.68 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide

2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 167906269) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID167906269
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(CCl)N[C@H]1CCc2ccc(OC(F)F)cc21
InChIInChI=1S/C12H12ClF2NO2/c13-6-11(17)16-10-4-2-7-1-3-8(5-9(7)10)18-12(14)15/h1,3,5,10,12H,2,4,6H2,(H,16,17)/t10-/m0/s1
InChIKeyVOECVWRBXKBBCR-JTQLQIEISA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-7-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63822639
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-[4-(difluoromethoxy)phenyl]ethyl]urea
CID 60580757
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
N-[6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]piperidine-1-carboxamide
CID 67716553
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
CID 120590890
3-(difluoromethoxy)-N-ethyl-6,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79726201
N-cyclopropyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79366753
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
N-[2-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
CID 51128788
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 95346191
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 167906269) is 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(CCl)N[C@H]1CCc2ccc(OC(F)F)cc21.
What is the InChIKey of 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is VOECVWRBXKBBCR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-6-11(17)16-10-4-2-7-1-3-8(5-9(7)10)18-12(14)15/h1,3,5,10,12H,2,4,6H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 275.68 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 167906269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).