7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide

C16H19FN2O3 — CID 91779136

IUPAC7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2c(F)cccc2c1C
InChIInChI=1S/C16H19FN2O3/c1-9-10-4-3-5-11(17)15(10)19-14(9)16(20)18-12-6-7-22-8-13(12)21-2/h3-5,12-13,19H,6-8H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeySSQILWOKNJSDJV-CHWSQXEVSA-N
MW306.34 g/mol
LogP2.15
Rot. Bonds3

About 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide

7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide (PubChem CID 91779136) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
PubChem CID91779136
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2c(F)cccc2c1C
InChIInChI=1S/C16H19FN2O3/c1-9-10-4-3-5-11(17)15(10)19-14(9)16(20)18-12-6-7-22-8-13(12)21-2/h3-5,12-13,19H,6-8H2,1-2H3,(H,18,20)/t12-,13-/m1/s1
InChIKeySSQILWOKNJSDJV-CHWSQXEVSA-N
XLogP2.15
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide
CID 157016049
3-ethyl-N-[(3S,4R)-3-methoxyoxan-4-yl]-1H-indole-2-carboxamide
CID 91772747
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
CID 91788905
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
N-[(3S,4R)-3-methoxyoxan-4-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 91777227
N-[(3S,4R)-3-methoxyoxan-4-yl]-3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanamide
CID 91795462
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
CID 164630095
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide (CID 91779136) is 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide is CO[C@@H]1COCC[C@H]1NC(=O)c1[nH]c2c(F)cccc2c1C.
What is the InChIKey of 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is SSQILWOKNJSDJV-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-9-10-4-3-5-11(17)15(10)19-14(9)16(20)18-12-6-7-22-8-13(12)21-2/h3-5,12-13,19H,6-8H2,1-2H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide?
7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 91779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).