3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide

C21H17FN2O3S — CID 71806584

IUPAC3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F
InChIInChI=1S/C21H17FN2O3S/c1-27-18-7-5-14(11-16(18)22)20(25)23-15-6-4-13-8-9-24(17(13)12-15)21(26)19-3-2-10-28-19/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeySCEWAHNTAJXWAB-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.35
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide

3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide (PubChem CID 71806584) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
PubChem CID71806584
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F
InChIInChI=1S/C21H17FN2O3S/c1-27-18-7-5-14(11-16(18)22)20(25)23-15-6-4-13-8-9-24(17(13)12-15)21(26)19-3-2-10-28-19/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeySCEWAHNTAJXWAB-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 27443773
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(trifluoromethyl)benzamide
CID 27555225
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
4-methyl-3-nitro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835038
3,5-dimethoxy-N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943329
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide (CID 71806584) is 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is SCEWAHNTAJXWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c1-27-18-7-5-14(11-16(18)22)20(25)23-15-6-4-13-8-9-24(17(13)12-15)21(26)19-3-2-10-28-19/h2-7,10-12H,8-9H2,1H3,(H,23,25).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide?
3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 396.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(thiophene-2-carbonyl)-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 71806584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).