N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide

C20H21FN2O3 — CID 46414828

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-4-26-18-8-5-13(11-19(18)25-3)12(2)22-20(24)17-10-14-9-15(21)6-7-16(14)23-17/h5-12,23H,4H2,1-3H3,(H,22,24)
InChIKeyAPKNWGDKXKLPGE-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 46414828) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID46414828
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-4-26-18-8-5-13(11-19(18)25-3)12(2)22-20(24)17-10-14-9-15(21)6-7-16(14)23-17/h5-12,23H,4H2,1-3H3,(H,22,24)
InChIKeyAPKNWGDKXKLPGE-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
5-fluoro-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1H-indole-2-carbohydrazide
CID 46556890
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
2-bromo-N-[1-(3,4-diethoxyphenyl)ethyl]-5-fluorobenzamide
CID 43022804
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide (CID 46414828) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide is CCOc1ccc(C(C)NC(=O)c2cc3cc(F)ccc3[nH]2)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is APKNWGDKXKLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-4-26-18-8-5-13(11-19(18)25-3)12(2)22-20(24)17-10-14-9-15(21)6-7-16(14)23-17/h5-12,23H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 46414828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).