(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide

C17H20FN3O — CID 171764202

IUPAC(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@@H](C)N[C@H](C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H20FN3O/c1-4-7-19-17(22)12(3)21-11(2)8-13-10-20-16-6-5-14(18)9-15(13)16/h1,5-6,9-12,20-21H,7-8H2,2-3H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyADXATPGEBROERG-VXGBXAGGSA-N
MW301.37 g/mol
LogP1.97
Rot. Bonds6

About (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide

(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide (PubChem CID 171764202) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
PubChem CID171764202
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@@H](C)N[C@H](C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H20FN3O/c1-4-7-19-17(22)12(3)21-11(2)8-13-10-20-16-6-5-14(18)9-15(13)16/h1,5-6,9-12,20-21H,7-8H2,2-3H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyADXATPGEBROERG-VXGBXAGGSA-N
XLogP1.97
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-[[2-amino-3-(5-fluoro-1H-indol-3-yl)propanoyl]amino]acetic acid
CID 78069026
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
CID 58748813
CID 58748813
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
CID 135277087
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The IUPAC name of (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide (CID 171764202) is (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)[C@@H](C)N[C@H](C)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
The InChIKey is ADXATPGEBROERG-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-4-7-19-17(22)12(3)21-11(2)8-13-10-20-16-6-5-14(18)9-15(13)16/h1,5-6,9-12,20-21H,7-8H2,2-3H3,(H,19,22)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide?
(2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide has a molecular weight of 301.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 171764202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).