2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide

C14H18F2N2O — CID 143222297

IUPAC2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
SMILESNC(=O)CN1CCCCC(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19)
InChIKeyHKWFKTAKGPSQQF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.02
Rot. Bonds3

About 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide

2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide (PubChem CID 143222297) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
PubChem CID143222297
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
SMILESNC(=O)CN1CCCCC(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19)
InChIKeyHKWFKTAKGPSQQF-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide;methanamine;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 143222296
N-[[3-(2,3-difluorophenyl)azepan-1-yl]methyl]-N-methylpropan-1-amine
CID 143222299
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
3-cyclohexyl-2-fluorobenzamide
CID 142776335
2-[3-(2-fluorophenyl)pyrrolidin-1-yl]-1-phenylethanone
CID 140930148
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)azepan-2-one
CID 143201239
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzoic acid
CID 176582398
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The IUPAC name of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide (CID 143222297) is 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The canonical SMILES for 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide is NC(=O)CN1CCCCC(c2cccc(F)c2F)C1.
What is the InChIKey of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
The InChIKey is HKWFKTAKGPSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-6-3-5-11(14(12)16)10-4-1-2-7-18(8-10)9-13(17)19/h3,5-6,10H,1-2,4,7-9H2,(H2,17,19).
What are the key properties of 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide?
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide is sourced from PubChem (CID 143222297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).