N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide

C13H16F2N2O — CID 113463807

IUPACN-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
SMILESCC1CC1CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-8-5-9(8)6-16-7-12(18)17-13-10(14)3-2-4-11(13)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyULDDPRLONOSOMI-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.15
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide

N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide (PubChem CID 113463807) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
PubChem CID113463807
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
SMILESCC1CC1CNCC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O/c1-8-5-9(8)6-16-7-12(18)17-13-10(14)3-2-4-11(13)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18)
InChIKeyULDDPRLONOSOMI-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 43405285
N-(2,6-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61057772
N-(2,6-difluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 43405257
N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585451
2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745436
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-(2,6-difluorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66170795
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174311

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide (CID 113463807) is N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide is CC1CC1CNCC(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide?
The InChIKey is ULDDPRLONOSOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-8-5-9(8)6-16-7-12(18)17-13-10(14)3-2-4-11(13)15/h2-4,8-9,16H,5-7H2,1H3,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide?
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide has a molecular weight of 254.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide is sourced from PubChem (CID 113463807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).