N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide

C18H25F3N2O2 — CID 23349847

IUPACN-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CCO)C1CCCCC1N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-22(11-12-24)15-5-3-4-6-16(15)23(2)17(25)13-7-9-14(10-8-13)18(19,20)21/h7-10,15-16,24H,3-6,11-12H2,1-2H3
InChIKeyPKAADLDTMCGHCF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide

N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide (PubChem CID 23349847) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide
PubChem CID23349847
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide
SMILESCN(CCO)C1CCCCC1N(C)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3N2O2/c1-22(11-12-24)15-5-3-4-6-16(15)23(2)17(25)13-7-9-14(10-8-13)18(19,20)21/h7-10,15-16,24H,3-6,11-12H2,1-2H3
InChIKeyPKAADLDTMCGHCF-UHFFFAOYSA-N
XLogP3.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Azd-2927
CID 57345449
4-({(2R,5S)-2,5-Dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-YL}carbonyl)benzonitrile
CID 6102761
N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CID 91810840
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 16196020
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
(4-Benzyl-piperazin-1-yl)-(4-trifluoromethyl-phenyl)-methanone
CID 562719
[4-(Diethylaminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10023270
(S)-N-(2-(3-(2,4-dimethylbenzylamino)-1-hydroxypropan-2-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 10137967
[4-[(Dimethylamino)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 10428707
N-[1-(2-hydroxyethyl)pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 44389390
[4-[(4-Fluoropiperidin-1-yl)methyl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 59218184
(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide (CID 23349847) is N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide is CN(CCO)C1CCCCC1N(C)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide?
The InChIKey is PKAADLDTMCGHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-22(11-12-24)15-5-3-4-6-16(15)23(2)17(25)13-7-9-14(10-8-13)18(19,20)21/h7-10,15-16,24H,3-6,11-12H2,1-2H3.
What are the key properties of N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide?
N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(methyl)amino]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 23349847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).