N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide

C20H20FN3O2 — CID 10807976

IUPACN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyBVJQHZJRYOJQIJ-SFHVURJKSA-N
MW353.40 g/mol
LogP2.74
Rot. Bonds5

About N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide

N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 10807976) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID10807976
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C20H20FN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyBVJQHZJRYOJQIJ-SFHVURJKSA-N
XLogP2.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide (CID 10807976) is N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is BVJQHZJRYOJQIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide?
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 10807976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).