1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide

C24H20ClF5N4O4 — CID 88922106

IUPAC1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C24H20ClF5N4O4/c25-17-3-1-2-12(21(17)27)8-32-23(37)19-6-13(26)9-34(19)20(35)11-33-10-16(22(31)36)15-5-4-14(7-18(15)33)38-24(28,29)30/h1-5,7,10,13,19H,6,8-9,11H2,(H2,31,36)(H,32,37)/t13-,19+/m1/s1
InChIKeyVMOOKOCHRUKTLT-YJYMSZOUSA-N
MW558.89 g/mol
LogP3.69
Rot. Bonds7

About 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide

1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide (PubChem CID 88922106) has the molecular formula C24H20ClF5N4O4 and a molecular weight of 558.89 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide
PubChem CID88922106
Molecular FormulaC24H20ClF5N4O4
Molecular Weight558.89 g/mol
Exact Mass558.11
IUPAC Name1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide
SMILESNC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C24H20ClF5N4O4/c25-17-3-1-2-12(21(17)27)8-32-23(37)19-6-13(26)9-34(19)20(35)11-33-10-16(22(31)36)15-5-4-14(7-18(15)33)38-24(28,29)30/h1-5,7,10,13,19H,6,8-9,11H2,(H2,31,36)(H,32,37)/t13-,19+/m1/s1
InChIKeyVMOOKOCHRUKTLT-YJYMSZOUSA-N
XLogP3.69
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-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 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide (CID 88922106) is 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide is NC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide?
The InChIKey is VMOOKOCHRUKTLT-YJYMSZOUSA-N. The full InChI is InChI=1S/C24H20ClF5N4O4/c25-17-3-1-2-12(21(17)27)8-32-23(37)19-6-13(26)9-34(19)20(35)11-33-10-16(22(31)36)15-5-4-14(7-18(15)33)38-24(28,29)30/h1-5,7,10,13,19H,6,8-9,11H2,(H2,31,36)(H,32,37)/t13-,19+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide?
1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide has a molecular weight of 558.89 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(trifluoromethoxy)indole-3-carboxamide is sourced from PubChem (CID 88922106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).