N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide

C20H21FN2O3 — CID 90599204

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC(C)(OC)c3ccccc3F)[nH]c2c1
InChIInChI=1S/C20H21FN2O3/c1-20(26-3,15-6-4-5-7-16(15)21)12-22-19(24)18-10-13-8-9-14(25-2)11-17(13)23-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyBXZAOUMOAMVXKG-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 90599204) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID90599204
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCC(C)(OC)c3ccccc3F)[nH]c2c1
InChIInChI=1S/C20H21FN2O3/c1-20(26-3,15-6-4-5-7-16(15)21)12-22-19(24)18-10-13-8-9-14(25-2)11-17(13)23-18/h4-11,23H,12H2,1-3H3,(H,22,24)
InChIKeyBXZAOUMOAMVXKG-UHFFFAOYSA-N
XLogP3.61
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 55721215
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
benzyl 2-[(6-methoxy-1H-indole-2-carbonyl)amino]acetate
CID 38424752
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
N-(2-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 134002747
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 90599359
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide (CID 90599204) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NCC(C)(OC)c3ccccc3F)[nH]c2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is BXZAOUMOAMVXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-20(26-3,15-6-4-5-7-16(15)21)12-22-19(24)18-10-13-8-9-14(25-2)11-17(13)23-18/h4-11,23H,12H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 90599204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).