2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide

C13H17F2N3O — CID 63668089

IUPAC2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide
SMILESNC(=O)C(c1cccc(F)c1F)N1CCCNCC1
InChIInChI=1S/C13H17F2N3O/c14-10-4-1-3-9(11(10)15)12(13(16)19)18-7-2-5-17-6-8-18/h1,3-4,12,17H,2,5-8H2,(H2,16,19)
InChIKeyAIJBWVUNHXKHFF-UHFFFAOYSA-N
MW269.29 g/mol
LogP0.79
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide

2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide (PubChem CID 63668089) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide
PubChem CID63668089
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide
SMILESNC(=O)C(c1cccc(F)c1F)N1CCCNCC1
InChIInChI=1S/C13H17F2N3O/c14-10-4-1-3-9(11(10)15)12(13(16)19)18-7-2-5-17-6-8-18/h1,3-4,12,17H,2,5-8H2,(H2,16,19)
InChIKeyAIJBWVUNHXKHFF-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetic acid
CID 54890531
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82120592
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(1,4-diazepan-1-yl)-2-phenylacetic acid
CID 54890245
1-[1-(2-fluorophenyl)ethyl]-1,4-diazepane
CID 3818846
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(R)-cyclopropyl-(2,3-difluorophenyl)methyl]piperazine
CID 171289598
1-[(R)-cyclobutyl-(2,3-difluorophenyl)methyl]piperazine;hydrochloride
CID 171175923
2-(5-bromo-2-fluorophenyl)-2-(1,4-diazepan-1-yl)acetic acid
CID 54890387
ethyl 2-(4-chloro-2-fluorophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 114843687
(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
CID 97206232
1-[(1R)-1-(2,3-difluorophenyl)butyl]piperazine
CID 171169482

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide (CID 63668089) is 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide is NC(=O)C(c1cccc(F)c1F)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide?
The InChIKey is AIJBWVUNHXKHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c14-10-4-1-3-9(11(10)15)12(13(16)19)18-7-2-5-17-6-8-18/h1,3-4,12,17H,2,5-8H2,(H2,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide?
2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide has a molecular weight of 269.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 63668089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).