3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide

C24H24ClFN4O4 — CID 123462781

IUPAC3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
SMILESNC(=O)n1cc(CC(=O)N2C(CO)CCC2C(=O)NCc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C24H24ClFN4O4/c25-18-6-3-4-14(22(18)26)11-28-23(33)20-9-8-16(13-31)30(20)21(32)10-15-12-29(24(27)34)19-7-2-1-5-17(15)19/h1-7,12,16,20,31H,8-11,13H2,(H2,27,34)(H,28,33)
InChIKeyHLONRPFSGZERHN-UHFFFAOYSA-N
MW486.93 g/mol
LogP2.57
Rot. Bonds6

About 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide

3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide (PubChem CID 123462781) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
PubChem CID123462781
Molecular FormulaC24H24ClFN4O4
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC Name3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
SMILESNC(=O)n1cc(CC(=O)N2C(CO)CCC2C(=O)NCc2cccc(Cl)c2F)c2ccccc21
InChIInChI=1S/C24H24ClFN4O4/c25-18-6-3-4-14(22(18)26)11-28-23(33)20-9-8-16(13-31)30(20)21(32)10-15-12-29(24(27)34)19-7-2-1-5-17(15)19/h1-7,12,16,20,31H,8-11,13H2,(H2,27,34)(H,28,33)
InChIKeyHLONRPFSGZERHN-UHFFFAOYSA-N
XLogP2.57
TPSA117.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-(hydroxymethyl)azetidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217446
3-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-5-ethoxyindole-1-carboxamide
CID 123401627
(2S,5R)-2-N-[(3-chloro-2-fluorophenyl)methyl]-5-(methoxymethyl)-1-N-[1-(methylcarbamoyl)indol-3-yl]pyrrolidine-1,2-dicarboxamide
CID 130322813
(2S)-1-N-(1-carbamoylindol-3-yl)-2-N-[(3-chloro-2-fluorophenyl)methyl]-4,4-dimethoxypyrrolidine-1,2-dicarboxamide
CID 89216505
3-[2-[(1R,3S,5S)-3-[3-(3-chloro-2-fluorophenyl)propanoyl]-5-(methoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-1-carboxamide
CID 158579152
(2S,4S)-1-N-(1-carbamoylindol-3-yl)-2-N-[(3-chloro-2-fluorophenyl)methyl]-4-(dimethylamino)-3-methylidenepyrrolidine-1,2-dicarboxamide
CID 130322772
(2R,3S,4R)-4-acetamido-1-N-(1-carbamoylindol-3-yl)-2-N-[(3-chloro-2-fluorophenyl)methyl]-3-fluoropyrrolidine-1,2-dicarboxamide
CID 71042441
(1R,3S,5R)-2-[2-(3-acetylindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.2.0]heptane-3-carboxamide
CID 163614805
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
1-[2-[(2S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylindole-3-carboxamide
CID 130322850

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The IUPAC name of 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide (CID 123462781) is 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide is NC(=O)n1cc(CC(=O)N2C(CO)CCC2C(=O)NCc2cccc(Cl)c2F)c2ccccc21.
What is the InChIKey of 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
The InChIKey is HLONRPFSGZERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c25-18-6-3-4-14(22(18)26)11-28-23(33)20-9-8-16(13-31)30(20)21(32)10-15-12-29(24(27)34)19-7-2-1-5-17(15)19/h1-7,12,16,20,31H,8-11,13H2,(H2,27,34)(H,28,33).
What are the key properties of 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide?
3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide has a molecular weight of 486.93 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide is sourced from PubChem (CID 123462781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).