N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide

C24H24ClFN4O4 — CID 130325011

IUPACN-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide
SMILESO=Cc1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12
InChIInChI=1S/C24H24ClFN4O4/c25-17-7-3-5-15(24(17)26)11-27-22(33)12-29(20-9-4-10-21(20)32)23(34)13-30-19-8-2-1-6-16(19)18(14-31)28-30/h1-3,5-8,14,20-21,32H,4,9-13H2,(H,27,33)
InChIKeyIDUHBJHCRBVCGS-UHFFFAOYSA-N
MW486.93 g/mol
LogP2.70
Rot. Bonds8

About N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide

N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide (PubChem CID 130325011) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide
PubChem CID130325011
Molecular FormulaC24H24ClFN4O4
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC NameN-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide
SMILESO=Cc1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12
InChIInChI=1S/C24H24ClFN4O4/c25-17-7-3-5-15(24(17)26)11-27-22(33)12-29(20-9-4-10-21(20)32)23(34)13-30-19-8-2-1-6-16(19)18(14-31)28-30/h1-3,5-8,14,20-21,32H,4,9-13H2,(H,27,33)
InChIKeyIDUHBJHCRBVCGS-UHFFFAOYSA-N
XLogP2.70
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide (CID 130325011) is N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide is O=Cc1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCCC2O)c2ccccc12.
What is the InChIKey of N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide?
The InChIKey is IDUHBJHCRBVCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c25-17-7-3-5-15(24(17)26)11-27-22(33)12-29(20-9-4-10-21(20)32)23(34)13-30-19-8-2-1-6-16(19)18(14-31)28-30/h1-3,5-8,14,20-21,32H,4,9-13H2,(H,27,33).
What are the key properties of N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide?
N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide has a molecular weight of 486.93 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-formylindazol-1-yl)-N-(2-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 130325011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).