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

C18H21ClFN3O4 — CID 142586237

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide
SMILESCC1NOCC1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C18H21ClFN3O4/c1-10-12(5-27-23-10)16(25)22-18-7-17(8-18,9-18)21-15(24)6-26-11-2-3-13(19)14(20)4-11/h2-4,10,12,23H,5-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyKNKGFVJKVMUMFA-UHFFFAOYSA-N
MW397.83 g/mol
LogP1.30
Rot. Bonds6

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

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide (PubChem CID 142586237) has the molecular formula C18H21ClFN3O4 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide
PubChem CID142586237
Molecular FormulaC18H21ClFN3O4
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide
SMILESCC1NOCC1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C18H21ClFN3O4/c1-10-12(5-27-23-10)16(25)22-18-7-17(8-18,9-18)21-15(24)6-26-11-2-3-13(19)14(20)4-11/h2-4,10,12,23H,5-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyKNKGFVJKVMUMFA-UHFFFAOYSA-N
XLogP1.30
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-5-propylpiperidine-3-carboxamide
CID 142586404
(3S)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 142586574
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-fluoropiperidine-2-carboxamide
CID 138626964
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(hydroxymethyl)piperidine-4-carboxamide
CID 138626710
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-fluorothiolane-2-carboxamide
CID 142586245
(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 142586654
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 162299196
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-cyclopentyl-1-methylimidazolidine-2-carboxamide
CID 145398755
(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
6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155256918

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide (CID 142586237) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide is CC1NOCC1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide?
The InChIKey is KNKGFVJKVMUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O4/c1-10-12(5-27-23-10)16(25)22-18-7-17(8-18,9-18)21-15(24)6-26-11-2-3-13(19)14(20)4-11/h2-4,10,12,23H,5-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-methyl-1,2-oxazolidine-4-carboxamide is sourced from PubChem (CID 142586237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).