N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide

C20H24FN3O2 — CID 52796514

IUPACN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)N2CCc3ccc(F)cc32)N(C)C)c1
InChIInChI=1S/C20H24FN3O2/c1-23(2)19(15-5-4-6-17(11-15)26-3)13-22-20(25)24-10-9-14-7-8-16(21)12-18(14)24/h4-8,11-12,19H,9-10,13H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyROTHJFZYKWKRKS-IBGZPJMESA-N
MW357.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide (PubChem CID 52796514) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide
PubChem CID52796514
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)N2CCc3ccc(F)cc32)N(C)C)c1
InChIInChI=1S/C20H24FN3O2/c1-23(2)19(15-5-4-6-17(11-15)26-3)13-22-20(25)24-10-9-14-7-8-16(21)12-18(14)24/h4-8,11-12,19H,9-10,13H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyROTHJFZYKWKRKS-IBGZPJMESA-N
XLogP3.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95268454
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
CID 171600748
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
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N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
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N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide (CID 52796514) is N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide is COc1cccc([C@H](CNC(=O)N2CCc3ccc(F)cc32)N(C)C)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide?
The InChIKey is ROTHJFZYKWKRKS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23(2)19(15-5-4-6-17(11-15)26-3)13-22-20(25)24-10-9-14-7-8-16(21)12-18(14)24/h4-8,11-12,19H,9-10,13H2,1-3H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-fluoro-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 52796514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).