2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide

C20H24F6N2O — CID 58062892

IUPAC2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C20H24F6N2O/c1-12-10-13(19(21,22)23)11-14(20(24,25)26)17(12)18(29)27-15-6-2-3-7-16(15)28-8-4-5-9-28/h10-11,15-16H,2-9H2,1H3,(H,27,29)/t15-,16+/m0/s1
InChIKeyUMBWKORENPALBA-JKSUJKDBSA-N
MW422.41 g/mol
LogP5.17
Rot. Bonds3

About 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide

2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide (PubChem CID 58062892) has the molecular formula C20H24F6N2O and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
PubChem CID58062892
Molecular FormulaC20H24F6N2O
Molecular Weight422.41 g/mol
Exact Mass422.18
IUPAC Name2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@H]1CCCC[C@H]1N1CCCC1
InChIInChI=1S/C20H24F6N2O/c1-12-10-13(19(21,22)23)11-14(20(24,25)26)17(12)18(29)27-15-6-2-3-7-16(15)28-8-4-5-9-28/h10-11,15-16H,2-9H2,1H3,(H,27,29)/t15-,16+/m0/s1
InChIKeyUMBWKORENPALBA-JKSUJKDBSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-N-[(2R)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
CID 162560127
2-methyl-N-[(3S,4R)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 53339572
2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
CID 51000590
2,6-dimethyl-N-[(4S)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 162560705
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
2-methylsulfanyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87369227
2-cyclopropyl-N-[(3S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 90290997
2-ethyl-6-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxan-3-yl]-4-(trifluoromethyl)benzamide
CID 67359855
2-cyclopropyl-6-methoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-4-(trifluoromethyl)benzamide
CID 51001234
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 51001073
methane;2-methylsulfanyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide;2-methylsulfanyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 160548486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide (CID 58062892) is 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide is Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@H]1CCCC[C@H]1N1CCCC1.
What is the InChIKey of 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is UMBWKORENPALBA-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H24F6N2O/c1-12-10-13(19(21,22)23)11-14(20(24,25)26)17(12)18(29)27-15-6-2-3-7-16(15)28-8-4-5-9-28/h10-11,15-16H,2-9H2,1H3,(H,27,29)/t15-,16+/m0/s1.
What are the key properties of 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide?
2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 422.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 58062892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).