6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide

C24H19Cl2FN2O5 — CID 155256785

IUPAC6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C(=O)c1cc(=O)c2cc(Cl)ccc2o1)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C24H19Cl2FN2O5/c1-29(22(32)20-8-18(30)15-6-13(25)2-5-19(15)34-20)24-10-23(11-24,12-24)28-21(31)9-33-14-3-4-16(26)17(27)7-14/h2-8H,9-12H2,1H3,(H,28,31)
InChIKeyAESZSNAGIVJAOC-UHFFFAOYSA-N
MW505.33 g/mol
LogP4.18
Rot. Bonds6

About 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide

6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide (PubChem CID 155256785) has the molecular formula C24H19Cl2FN2O5 and a molecular weight of 505.33 g/mol. Its IUPAC name is 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide
PubChem CID155256785
Molecular FormulaC24H19Cl2FN2O5
Molecular Weight505.33 g/mol
Exact Mass504.07
IUPAC Name6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCN(C(=O)c1cc(=O)c2cc(Cl)ccc2o1)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C24H19Cl2FN2O5/c1-29(22(32)20-8-18(30)15-6-13(25)2-5-19(15)34-20)24-10-23(11-24,12-24)28-21(31)9-33-14-3-4-16(26)17(27)7-14/h2-8H,9-12H2,1H3,(H,28,31)
InChIKeyAESZSNAGIVJAOC-UHFFFAOYSA-N
XLogP4.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163606362
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
4-chloro-N-[3-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-oxopropyl]-N-methylbenzamide
CID 159195260
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide
CID 138610717
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[1-(4-methylphenyl)propan-2-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157445836
(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(difluoromethyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 155123584
[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 156635677
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290245
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide (CID 155256785) is 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide is CN(C(=O)c1cc(=O)c2cc(Cl)ccc2o1)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.
What is the InChIKey of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide?
The InChIKey is AESZSNAGIVJAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2FN2O5/c1-29(22(32)20-8-18(30)15-6-13(25)2-5-19(15)34-20)24-10-23(11-24,12-24)28-21(31)9-33-14-3-4-16(26)17(27)7-14/h2-8H,9-12H2,1H3,(H,28,31).
What are the key properties of 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide?
6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide has a molecular weight of 505.33 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 155256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).