3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide

C19H19ClFNO2 — CID 140712188

IUPAC3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1c(C(N)=O)cccc1[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C19H19ClFNO2/c1-10(2)24-18-14(4-3-5-15(18)19(22)23)12-6-7-13-16(12)8-11(20)9-17(13)21/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,23)/t12-/m0/s1
InChIKeyBQSJONNDWUFFFK-LBPRGKRZSA-N
MW347.82 g/mol
LogP4.44
Rot. Bonds4

About 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide (PubChem CID 140712188) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide
PubChem CID140712188
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1c(C(N)=O)cccc1[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C19H19ClFNO2/c1-10(2)24-18-14(4-3-5-15(18)19(22)23)12-6-7-13-16(12)8-11(20)9-17(13)21/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,23)/t12-/m0/s1
InChIKeyBQSJONNDWUFFFK-LBPRGKRZSA-N
XLogP4.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 140712230
6-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(methylamino)pyridine-3-carboxamide
CID 140712069
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 140712077
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroxybenzamide
CID 142729740
benzyl 4-carbamoyl-3-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]benzoate
CID 140712243
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 141420905
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 118936150
2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
CID 118935897

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide?
The IUPAC name of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide (CID 140712188) is 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1c(C(N)=O)cccc1[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide?
The InChIKey is BQSJONNDWUFFFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-10(2)24-18-14(4-3-5-15(18)19(22)23)12-6-7-13-16(12)8-11(20)9-17(13)21/h3-5,8-10,12H,6-7H2,1-2H3,(H2,22,23)/t12-/m0/s1.
What are the key properties of 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide?
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide has a molecular weight of 347.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 140712188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).