1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide

C21H23FN2O3 — CID 60621064

IUPAC1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1F
InChIInChI=1S/C21H23FN2O3/c1-13(2)24(17-6-8-20(27-4)18(22)12-17)21(26)16-5-7-19-15(11-16)9-10-23(19)14(3)25/h5-8,11-13H,9-10H2,1-4H3
InChIKeyNYPMUCOLYFBGOW-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.80
Rot. Bonds4

About 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide (PubChem CID 60621064) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
PubChem CID60621064
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(N(C(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1F
InChIInChI=1S/C21H23FN2O3/c1-13(2)24(17-6-8-20(27-4)18(22)12-17)21(26)16-5-7-19-15(11-16)9-10-23(19)14(3)25/h5-8,11-13H,9-10H2,1-4H3
InChIKeyNYPMUCOLYFBGOW-UHFFFAOYSA-N
XLogP3.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 78892722
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 34258783
1-[5-[5-(4-aminobutan-2-yl)-2-methoxyphenyl]-2,3-dihydroindol-1-yl]ethanone
CID 110447602
(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(5-chloro-2,4-dimethoxyanilino)propan-1-one
CID 35825374
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 24532068
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
N-(3-fluoro-4-methoxyphenyl)-5-methyl-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 126786798
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide (CID 60621064) is 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide is COc1ccc(N(C(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1F.
What is the InChIKey of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The InChIKey is NYPMUCOLYFBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13(2)24(17-6-8-20(27-4)18(22)12-17)21(26)16-5-7-19-15(11-16)9-10-23(19)14(3)25/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-fluoro-4-methoxyphenyl)-N-propan-2-yl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 60621064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).