N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide

C19H19FN2O3 — CID 39983681

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C19H19FN2O3/c1-11(15-10-14(24-2)5-7-18(15)25-3)21-19(23)17-9-12-8-13(20)4-6-16(12)22-17/h4-11,22H,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyJMGNBTDIPZGHPT-LLVKDONJSA-N
MW342.37 g/mol
LogP3.82
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 39983681) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID39983681
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C19H19FN2O3/c1-11(15-10-14(24-2)5-7-18(15)25-3)21-19(23)17-9-12-8-13(20)4-6-16(12)22-17/h4-11,22H,1-3H3,(H,21,23)/t11-/m1/s1
InChIKeyJMGNBTDIPZGHPT-LLVKDONJSA-N
XLogP3.82
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 112836868
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide (CID 39983681) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide is COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is JMGNBTDIPZGHPT-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-11(15-10-14(24-2)5-7-18(15)25-3)21-19(23)17-9-12-8-13(20)4-6-16(12)22-17/h4-11,22H,1-3H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 39983681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).