(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide

C20H20FN3O2 — CID 2206716

IUPAC(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-13(25)24-19(10-15-12-22-18-9-5-3-7-16(15)18)20(26)23-11-14-6-2-4-8-17(14)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyYFTVGFCOABXLPW-LJQANCHMSA-N
MW353.40 g/mol
LogP2.67
Rot. Bonds6

About (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide

(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 2206716) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID2206716
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F
InChIInChI=1S/C20H20FN3O2/c1-13(25)24-19(10-15-12-22-18-9-5-3-7-16(15)18)20(26)23-11-14-6-2-4-8-17(14)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1
InChIKeyYFTVGFCOABXLPW-LJQANCHMSA-N
XLogP2.67
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide
CID 10340528
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 74629777
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 990959
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide (CID 2206716) is (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1F.
What is the InChIKey of (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is YFTVGFCOABXLPW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(25)24-19(10-15-12-22-18-9-5-3-7-16(15)18)20(26)23-11-14-6-2-4-8-17(14)21/h2-9,12,19,22H,10-11H2,1H3,(H,23,26)(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 353.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2206716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).