5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide

C19H19FN2O — CID 39982788

IUPAC5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H19FN2O/c1-13(7-8-14-5-3-2-4-6-14)21-19(23)18-12-15-11-16(20)9-10-17(15)22-18/h2-6,9-13,22H,7-8H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNEGSXSGOEFJMOV-CYBMUJFWSA-N
MW310.37 g/mol
LogP4.06
Rot. Bonds5

About 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide

5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 39982788) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
PubChem CID39982788
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H19FN2O/c1-13(7-8-14-5-3-2-4-6-14)21-19(23)18-12-15-11-16(20)9-10-17(15)22-18/h2-6,9-13,22H,7-8H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNEGSXSGOEFJMOV-CYBMUJFWSA-N
XLogP4.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 42947302
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide (CID 39982788) is 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is NEGSXSGOEFJMOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13(7-8-14-5-3-2-4-6-14)21-19(23)18-12-15-11-16(20)9-10-17(15)22-18/h2-6,9-13,22H,7-8H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide?
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 39982788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).