N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide

C16H18ClF3N2O — CID 56513242

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C=CCCC1
InChIInChI=1S/C16H18ClF3N2O/c1-22(12-5-3-2-4-6-12)10-15(23)21-11-7-8-14(17)13(9-11)16(18,19)20/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,21,23)
InChIKeyVXLWJKVLORAEQZ-UHFFFAOYSA-N
MW346.78 g/mol
LogP4.34
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide (PubChem CID 56513242) has the molecular formula C16H18ClF3N2O and a molecular weight of 346.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
PubChem CID56513242
Molecular FormulaC16H18ClF3N2O
Molecular Weight346.78 g/mol
Exact Mass346.11
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C=CCCC1
InChIInChI=1S/C16H18ClF3N2O/c1-22(12-5-3-2-4-6-12)10-15(23)21-11-7-8-14(17)13(9-11)16(18,19)20/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,21,23)
InChIKeyVXLWJKVLORAEQZ-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 2404080
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
CID 26293555
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065446
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
2-[benzenesulfonyl(cyclohexyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1331347
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylpropanamide
CID 110688243

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide (CID 56513242) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1C=CCCC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide?
The InChIKey is VXLWJKVLORAEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O/c1-22(12-5-3-2-4-6-12)10-15(23)21-11-7-8-14(17)13(9-11)16(18,19)20/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide has a molecular weight of 346.78 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide is sourced from PubChem (CID 56513242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).