3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide

C23H22ClFN4O4 — CID 88921998

IUPAC3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
SMILESNC(=O)n1cc(CC(=O)N2CC[C@@H](O)[C@H]2C(=O)N(F)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C23H22ClFN4O4/c24-16-5-3-4-14(10-16)12-29(25)22(32)21-19(30)8-9-27(21)20(31)11-15-13-28(23(26)33)18-7-2-1-6-17(15)18/h1-7,10,13,19,21,30H,8-9,11-12H2,(H2,26,33)/t19-,21+/m1/s1
InChIKeySVYDRMIKHJWAAM-CTNGQTDRSA-N
MW472.90 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide

3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide (PubChem CID 88921998) has the molecular formula C23H22ClFN4O4 and a molecular weight of 472.90 g/mol. Its IUPAC name is 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
PubChem CID88921998
Molecular FormulaC23H22ClFN4O4
Molecular Weight472.90 g/mol
Exact Mass472.13
IUPAC Name3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
SMILESNC(=O)n1cc(CC(=O)N2CC[C@@H](O)[C@H]2C(=O)N(F)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C23H22ClFN4O4/c24-16-5-3-4-14(10-16)12-29(25)22(32)21-19(30)8-9-27(21)20(31)11-15-13-28(23(26)33)18-7-2-1-6-17(15)18/h1-7,10,13,19,21,30H,8-9,11-12H2,(H2,26,33)/t19-,21+/m1/s1
InChIKeySVYDRMIKHJWAAM-CTNGQTDRSA-N
XLogP2.64
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.90
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The IUPAC name of 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide (CID 88921998) is 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide is NC(=O)n1cc(CC(=O)N2CC[C@@H](O)[C@H]2C(=O)N(F)Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The InChIKey is SVYDRMIKHJWAAM-CTNGQTDRSA-N. The full InChI is InChI=1S/C23H22ClFN4O4/c24-16-5-3-4-14(10-16)12-29(25)22(32)21-19(30)8-9-27(21)20(31)11-15-13-28(23(26)33)18-7-2-1-6-17(15)18/h1-7,10,13,19,21,30H,8-9,11-12H2,(H2,26,33)/t19-,21+/m1/s1.
What are the key properties of 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide has a molecular weight of 472.90 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide is sourced from PubChem (CID 88921998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).