N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine

C25H25ClFN3O2 — CID 144743655

IUPACN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
SMILESCCc1ccccc1C(=O)N(CC(N)=O)C1CCc2c(F)cc(Cl)cc21.c1ccncc1
InChIInChI=1S/C20H20ClFN2O2.C5H5N/c1-2-12-5-3-4-6-14(12)20(26)24(11-19(23)25)18-8-7-15-16(18)9-13(21)10-17(15)22;1-2-4-6-5-3-1/h3-6,9-10,18H,2,7-8,11H2,1H3,(H2,23,25);1-5H
InChIKeyZBVPJGIJZQLNPB-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.74
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine

N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine (PubChem CID 144743655) has the molecular formula C25H25ClFN3O2 and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
PubChem CID144743655
Molecular FormulaC25H25ClFN3O2
Molecular Weight453.95 g/mol
Exact Mass453.16
IUPAC NameN-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
SMILESCCc1ccccc1C(=O)N(CC(N)=O)C1CCc2c(F)cc(Cl)cc21.c1ccncc1
InChIInChI=1S/C20H20ClFN2O2.C5H5N/c1-2-12-5-3-4-6-14(12)20(26)24(11-19(23)25)18-8-7-15-16(18)9-13(21)10-17(15)22;1-2-4-6-5-3-1/h3-6,9-10,18H,2,7-8,11H2,1H3,(H2,23,25);1-5H
InChIKeyZBVPJGIJZQLNPB-UHFFFAOYSA-N
XLogP4.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine (CID 144743655) is N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine is CCc1ccccc1C(=O)N(CC(N)=O)C1CCc2c(F)cc(Cl)cc21.c1ccncc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine?
The InChIKey is ZBVPJGIJZQLNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2.C5H5N/c1-2-12-5-3-4-6-14(12)20(26)24(11-19(23)25)18-8-7-15-16(18)9-13(21)10-17(15)22;1-2-4-6-5-3-1/h3-6,9-10,18H,2,7-8,11H2,1H3,(H2,23,25);1-5H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine?
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine has a molecular weight of 453.95 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine is sourced from PubChem (CID 144743655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).