2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide

C16H22F2N2O — CID 16577767

IUPAC2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1F)C1CCCCCC1
InChIInChI=1S/C16H22F2N2O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(17)8-9-14(15)18/h8-10,13H,2-7,11H2,1H3,(H,19,21)
InChIKeyHXDJFHZAWIIRAM-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.56
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide

2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 16577767) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID16577767
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)ccc1F)C1CCCCCC1
InChIInChI=1S/C16H22F2N2O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(17)8-9-14(15)18/h8-10,13H,2-7,11H2,1H3,(H,19,21)
InChIKeyHXDJFHZAWIIRAM-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cycloheptyl(methyl)amino]-N-(4-fluoro-2-nitrophenyl)acetamide
CID 16961109
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(2,5-difluorophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635385
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide (CID 16577767) is 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)ccc1F)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is HXDJFHZAWIIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-20(13-6-4-2-3-5-7-13)11-16(21)19-15-10-12(17)8-9-14(15)18/h8-10,13H,2-7,11H2,1H3,(H,19,21).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide?
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 296.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 16577767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).