N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide

C20H19FN2O2 — CID 166355477

IUPACN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C20H19FN2O2/c1-11-7-14(25-2)8-17-15(11)9-19(22-17)20(24)23-18-10-16(18)12-3-5-13(21)6-4-12/h3-9,16,18,22H,10H2,1-2H3,(H,23,24)/t16-,18+/m0/s1
InChIKeyBDFZXTDXBOSDIB-FUHWJXTLSA-N
MW338.38 g/mol
LogP3.91
Rot. Bonds4

About N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide

N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide (PubChem CID 166355477) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
PubChem CID166355477
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide
SMILESCOc1cc(C)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C20H19FN2O2/c1-11-7-14(25-2)8-17-15(11)9-19(22-17)20(24)23-18-10-16(18)12-3-5-13(21)6-4-12/h3-9,16,18,22H,10H2,1-2H3,(H,23,24)/t16-,18+/m0/s1
InChIKeyBDFZXTDXBOSDIB-FUHWJXTLSA-N
XLogP3.91
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide (CID 166355477) is N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide is COc1cc(C)c2cc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
The InChIKey is BDFZXTDXBOSDIB-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-11-7-14(25-2)8-17-15(11)9-19(22-17)20(24)23-18-10-16(18)12-3-5-13(21)6-4-12/h3-9,16,18,22H,10H2,1-2H3,(H,23,24)/t16-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide?
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-6-methoxy-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166355477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).