N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide

C16H21F3N2O2 — CID 99625911

IUPACN-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
SMILESO=C(NCCO)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-4-2-6-14(10-12)21-13-5-1-3-11(9-13)15(23)20-7-8-22/h1,3,5,9,12,14,21-22H,2,4,6-8,10H2,(H,20,23)/t12-,14-/m0/s1
InChIKeyIFMVTAGWJINRQM-JSGCOSHPSA-N
MW330.35 g/mol
LogP2.94
Rot. Bonds5

About N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide

N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide (PubChem CID 99625911) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
PubChem CID99625911
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
SMILESO=C(NCCO)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)12-4-2-6-14(10-12)21-13-5-1-3-11(9-13)15(23)20-7-8-22/h1,3,5,9,12,14,21-22H,2,4,6-8,10H2,(H,20,23)/t12-,14-/m0/s1
InChIKeyIFMVTAGWJINRQM-JSGCOSHPSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 25348383
N-[3-oxo-3-[[3-(trifluoromethyl)cyclohexyl]amino]propyl]benzamide
CID 18147759
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637
N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
CID 97157129
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 64757163
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
3-[(3,5-dimethylcyclohexyl)amino]-N-propylbenzamide
CID 64752912
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide (CID 99625911) is N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide is O=C(NCCO)c1cccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide?
The InChIKey is IFMVTAGWJINRQM-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)12-4-2-6-14(10-12)21-13-5-1-3-11(9-13)15(23)20-7-8-22/h1,3,5,9,12,14,21-22H,2,4,6-8,10H2,(H,20,23)/t12-,14-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide?
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide has a molecular weight of 330.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide is sourced from PubChem (CID 99625911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).