5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

C68H60Cl2F2N8O4 — CID 159590593

IUPAC5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C17H15ClN2O.2C17H15FN2O/c4*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h4*2-11,20H,1H3,(H,19,21)/t4*11-/m1010/s1
InChIKeyMKEOSENDVZMWQI-MCZWESBYSA-N
MW1162.18 g/mol
LogP16.22
Rot. Bonds12

About 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide

5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 159590593) has the molecular formula C68H60Cl2F2N8O4 and a molecular weight of 1162.18 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID159590593
Molecular FormulaC68H60Cl2F2N8O4
Molecular Weight1162.18 g/mol
Exact Mass1160.41
IUPAC Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/2C17H15ClN2O.2C17H15FN2O/c4*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h4*2-11,20H,1H3,(H,19,21)/t4*11-/m1010/s1
InChIKeyMKEOSENDVZMWQI-MCZWESBYSA-N
XLogP16.22
TPSA179.56 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.18
LogP ≤ 516.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide (CID 159590593) is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is MKEOSENDVZMWQI-MCZWESBYSA-N. The full InChI is InChI=1S/2C17H15ClN2O.2C17H15FN2O/c4*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h4*2-11,20H,1H3,(H,19,21)/t4*11-/m1010/s1.
What are the key properties of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide?
5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 1162.18 g/mol, XLogP of 16.22, 12 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 159590593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).