2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide

C13H15BrF2N2O — CID 61488153

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C13H15BrF2N2O/c1-2-18(9-3-4-9)12(19)7-17-13-10(14)5-8(15)6-11(13)16/h5-6,9,17H,2-4,7H2,1H3
InChIKeyCDFSITQDOUGFHC-UHFFFAOYSA-N
MW333.18 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide

2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488153) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
PubChem CID61488153
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1c(F)cc(F)cc1Br)C1CC1
InChIInChI=1S/C13H15BrF2N2O/c1-2-18(9-3-4-9)12(19)7-17-13-10(14)5-8(15)6-11(13)16/h5-6,9,17H,2-4,7H2,1H3
InChIKeyCDFSITQDOUGFHC-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
CID 104878297
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
CID 113251331
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
2-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 61488078
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide (CID 61488153) is 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CNc1c(F)cc(F)cc1Br)C1CC1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is CDFSITQDOUGFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c1-2-18(9-3-4-9)12(19)7-17-13-10(14)5-8(15)6-11(13)16/h5-6,9,17H,2-4,7H2,1H3.
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide?
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 333.18 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).