2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide

C13H14Cl2F2N2O2 — CID 79843771

IUPAC2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
SMILESNC1(CC(=O)Nc2cc(Cl)c(OC(F)F)c(Cl)c2)CCC1
InChIInChI=1S/C13H14Cl2F2N2O2/c14-8-4-7(5-9(15)11(8)21-12(16)17)19-10(20)6-13(18)2-1-3-13/h4-5,12H,1-3,6,18H2,(H,19,20)
InChIKeyLSIDDLOZRGHLBS-UHFFFAOYSA-N
MW339.17 g/mol
LogP3.80
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide

2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide (PubChem CID 79843771) has the molecular formula C13H14Cl2F2N2O2 and a molecular weight of 339.17 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
PubChem CID79843771
Molecular FormulaC13H14Cl2F2N2O2
Molecular Weight339.17 g/mol
Exact Mass338.04
IUPAC Name2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
SMILESNC1(CC(=O)Nc2cc(Cl)c(OC(F)F)c(Cl)c2)CCC1
InChIInChI=1S/C13H14Cl2F2N2O2/c14-8-4-7(5-9(15)11(8)21-12(16)17)19-10(20)6-13(18)2-1-3-13/h4-5,12H,1-3,6,18H2,(H,19,20)
InChIKeyLSIDDLOZRGHLBS-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.17
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285393
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
2-(1-aminocyclohexyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 64684367
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide (CID 79843771) is 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide is NC1(CC(=O)Nc2cc(Cl)c(OC(F)F)c(Cl)c2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is LSIDDLOZRGHLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2F2N2O2/c14-8-4-7(5-9(15)11(8)21-12(16)17)19-10(20)6-13(18)2-1-3-13/h4-5,12H,1-3,6,18H2,(H,19,20).
What are the key properties of 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide?
2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 339.17 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 79843771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).