N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide

C17H23F2N3O2 — CID 122138586

IUPACN-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCCN(CC(F)F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-13(23)14-5-2-3-6-15(14)20-17(24)12-22-8-4-7-21(9-10-22)11-16(18)19/h2-3,5-6,16H,4,7-12H2,1H3,(H,20,24)
InChIKeyHZMKYJHRRAUHGG-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.10
Rot. Bonds6

About N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 122138586) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID122138586
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCCN(CC(F)F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-13(23)14-5-2-3-6-15(14)20-17(24)12-22-8-4-7-21(9-10-22)11-16(18)19/h2-3,5-6,16H,4,7-12H2,1H3,(H,20,24)
InChIKeyHZMKYJHRRAUHGG-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
N-(2-acetylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207173
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-acetylphenyl)-2-[4-[2-hydroxy-3-(1-prop-1-ynylcyclohexyl)oxypropyl]piperazin-1-yl]acetamide
CID 13424443
N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073375
N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
CID 9391097
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide (CID 122138586) is N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCCN(CC(F)F)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is HZMKYJHRRAUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-13(23)14-5-2-3-6-15(14)20-17(24)12-22-8-4-7-21(9-10-22)11-16(18)19/h2-3,5-6,16H,4,7-12H2,1H3,(H,20,24).
What are the key properties of N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 339.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 122138586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).