(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H17FN2O3 — CID 122192197

IUPAC(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBHRBERXUBCBIRA-MRXNPFEDSA-N
MW328.34 g/mol
LogP1.91
Rot. Bonds4

About (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 122192197) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID122192197
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyBHRBERXUBCBIRA-MRXNPFEDSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
2-phenoxy-N-[4-(pyrrolidinylcarbonyl)phenyl]acetamide
CID 1246899
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 2524725
2-(2-fluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 2525087
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-phenylpropanamide
CID 4780403
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 4880243
N-(2-ethoxyphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 16291946
N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-2-phenoxyacetamide
CID 16823178
3-fluoro-N-(2-(furan-2-yl)-2-(indolin-1-yl)ethyl)benzamide
CID 18577474
1-(Phenoxyacetyl)indoline
CID 730643
1-[(4-Methylphenoxy)acetyl]indoline
CID 674915
2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 1631469

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 122192197) is (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)[C@H]1Cc2ccccc2N1C(=O)COc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is BHRBERXUBCBIRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-20-18(23)16-10-12-4-2-3-5-15(12)21(16)17(22)11-24-14-8-6-13(19)7-9-14/h2-9,16H,10-11H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
(2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-fluorophenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 122192197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).