3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid

C19H17FN2O3 — CID 167977206

IUPAC3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
SMILESCn1c(C(=O)NC(CC(=O)O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C19H17FN2O3/c1-22-16-5-3-2-4-13(16)10-17(22)19(25)21-15(11-18(23)24)12-6-8-14(20)9-7-12/h2-10,15H,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyAGXDQLJNSWOVLJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.26
Rot. Bonds5

About 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid

3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid (PubChem CID 167977206) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
PubChem CID167977206
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
SMILESCn1c(C(=O)NC(CC(=O)O)c2ccc(F)cc2)cc2ccccc21
InChIInChI=1S/C19H17FN2O3/c1-22-16-5-3-2-4-13(16)10-17(22)19(25)21-15(11-18(23)24)12-6-8-14(20)9-7-12/h2-10,15H,11H2,1H3,(H,21,25)(H,23,24)
InChIKeyAGXDQLJNSWOVLJ-UHFFFAOYSA-N
XLogP3.26
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97315397
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
CID 58417437
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 4902610
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(4-fluorophenyl)-(1-methylindol-2-yl)methanone
CID 10377568
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
(2S)-2-[(1-methylindole-2-carbonyl)amino]hexanoic acid
CID 59453906
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
CID 71708611
2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 4908213

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid (CID 167977206) is 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid is Cn1c(C(=O)NC(CC(=O)O)c2ccc(F)cc2)cc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid?
The InChIKey is AGXDQLJNSWOVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-16-5-3-2-4-13(16)10-17(22)19(25)21-15(11-18(23)24)12-6-8-14(20)9-7-12/h2-10,15H,11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid?
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid has a molecular weight of 340.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167977206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).