2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide

C11H11ClF2N2O — CID 115745436

IUPAC2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
SMILESC=C(Cl)CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H11ClF2N2O/c1-7(12)5-15-6-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,15H,1,5-6H2,(H,16,17)
InChIKeyDTULTYVWVWUUOB-UHFFFAOYSA-N
MW260.67 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide

2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide (PubChem CID 115745436) has the molecular formula C11H11ClF2N2O and a molecular weight of 260.67 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
PubChem CID115745436
Molecular FormulaC11H11ClF2N2O
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
SMILESC=C(Cl)CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H11ClF2N2O/c1-7(12)5-15-6-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,15H,1,5-6H2,(H,16,17)
InChIKeyDTULTYVWVWUUOB-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
N-(2,6-difluorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66170795
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174311
2-(5-chloro-2-fluoroanilino)-N-(2,6-difluorophenyl)acetamide
CID 43408880
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(2,6-difluorophenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325135
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide (CID 115745436) is 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide is C=C(Cl)CNCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is DTULTYVWVWUUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O/c1-7(12)5-15-6-10(17)16-11-8(13)3-2-4-9(11)14/h2-4,15H,1,5-6H2,(H,16,17).
What are the key properties of 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide?
2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 260.67 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 115745436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).