N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide

C13H13F3N2O2 — CID 144779420

IUPACN-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide
SMILESO=CN(CC(=O)NC1CC(F)(F)C1)c1cccc(F)c1
InChIInChI=1S/C13H13F3N2O2/c14-9-2-1-3-11(4-9)18(8-19)7-12(20)17-10-5-13(15,16)6-10/h1-4,8,10H,5-7H2,(H,17,20)
InChIKeyJXMQIVKAXOCNSQ-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.70
Rot. Bonds5

About N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide

N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide (PubChem CID 144779420) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide.

Molecular Properties

Compound NameN-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide
PubChem CID144779420
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide
SMILESO=CN(CC(=O)NC1CC(F)(F)C1)c1cccc(F)c1
InChIInChI=1S/C13H13F3N2O2/c14-9-2-1-3-11(4-9)18(8-19)7-12(20)17-10-5-13(15,16)6-10/h1-4,8,10H,5-7H2,(H,17,20)
InChIKeyJXMQIVKAXOCNSQ-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one
CID 144779563
chlorobenzene;N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-formylanilino)acetamide;ethane;2-(3-hydroxy-2-oxopyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 144779547
N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-methylanilino)-2-[2-(methylamino)phenyl]acetamide
CID 166798503
2-(3-fluoro-N-methylsulfonylanilino)-N-(5-oxo-1-propylpyrrolidin-3-yl)acetamide
CID 131905888
methyl N-[2-(N-[1-(2,6-dichlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]carbamate
CID 71664436
methyl N-[2-(N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]carbamate
CID 71664419
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
4-[(3-fluoro-N-formylanilino)methyl]benzoic acid
CID 20848164
N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 123830966
N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-pyrimidin-2-ylazetidine-2-carboxamide
CID 123151084
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide?
The IUPAC name of N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide (CID 144779420) is N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide.
What is the SMILES notation for N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide?
The canonical SMILES for N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide is O=CN(CC(=O)NC1CC(F)(F)C1)c1cccc(F)c1.
What is the InChIKey of N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide?
The InChIKey is JXMQIVKAXOCNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-9-2-1-3-11(4-9)18(8-19)7-12(20)17-10-5-13(15,16)6-10/h1-4,8,10H,5-7H2,(H,17,20).
What are the key properties of N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide?
N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide has a molecular weight of 286.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide is sourced from PubChem (CID 144779420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).