2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C17H23F3N2O — CID 16577679

IUPAC2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C17H23F3N2O/c1-22(15-9-4-2-3-5-10-15)12-16(23)21-14-8-6-7-13(11-14)17(18,19)20/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,21,23)
InChIKeyKDKCZSQAFCNHLJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.30
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 16577679) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID16577679
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCCC1
InChIInChI=1S/C17H23F3N2O/c1-22(15-9-4-2-3-5-10-15)12-16(23)21-14-8-6-7-13(11-14)17(18,19)20/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,21,23)
InChIKeyKDKCZSQAFCNHLJ-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
2-(azepan-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8895949
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[cyclohexyl(methyl)amino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54817312
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 16577679) is 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KDKCZSQAFCNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-22(15-9-4-2-3-5-10-15)12-16(23)21-14-8-6-7-13(11-14)17(18,19)20/h6-8,11,15H,2-5,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 328.38 g/mol, XLogP of 4.30, 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16577679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).