2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide

C19H20ClF3N2OS — CID 11408387

IUPAC2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCCC1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccsc1
InChIInChI=1S/C19H20ClF3N2OS/c1-25-9-3-2-7-15(25)17(12-8-10-27-11-12)24-18(26)13-5-4-6-14(16(13)20)19(21,22)23/h4-6,8,10-11,15,17H,2-3,7,9H2,1H3,(H,24,26)
InChIKeyVAKIYBTWCJOZDF-UHFFFAOYSA-N
MW416.90 g/mol
LogP5.38
Rot. Bonds4

About 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide (PubChem CID 11408387) has the molecular formula C19H20ClF3N2OS and a molecular weight of 416.90 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
PubChem CID11408387
Molecular FormulaC19H20ClF3N2OS
Molecular Weight416.90 g/mol
Exact Mass416.09
IUPAC Name2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCCCC1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccsc1
InChIInChI=1S/C19H20ClF3N2OS/c1-25-9-3-2-7-15(25)17(12-8-10-27-11-12)24-18(26)13-5-4-6-14(16(13)20)19(21,22)23/h4-6,8,10-11,15,17H,2-3,7,9H2,1H3,(H,24,26)
InChIKeyVAKIYBTWCJOZDF-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.90
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-methylpiperidin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87727068
N-[2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl(pyridin-3-yl)methyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24984601
N-[(R)-[(3R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl]-phenylmethyl]-2-chloro-3-(trifluoromethyl)benzamide;hydrochloride
CID 24762225
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
2,3-dichloro-N-[(S)-[(2S)-1-methylazepan-2-yl]-phenylmethyl]benzamide
CID 129152159
2-chloro-N-[2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl(phenyl)methyl]-3-(trifluoromethyl)benzamide
CID 24984765
2-chloro-N-[(S)-[(2S)-1,1-dimethylpiperidin-1-ium-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 69104903
4-amino-3-chloro-N-[(1-methylpiperidin-2-yl)-phenylmethyl]-5-(trifluoromethyl)benzamide
CID 69104804
2,5-dichloro-N-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]thiophene-3-carboxamide
CID 11339141
N-[1,2,3,5,6,7,8,8a-octahydroindolizin-3-yl(phenyl)methyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 24984434
2-chloro-N-[(1,2-dimethylpiperidin-2-yl)-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 68502805
[5-[[[2-chloro-3-(trifluoromethyl)benzoyl]amino]-[(2S)-1-prop-2-enylpiperidin-2-yl]methyl]-2-methylphenyl] trifluoromethanesulfonate
CID 87727288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide (CID 11408387) is 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide is CN1CCCCC1C(NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccsc1.
What is the InChIKey of 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VAKIYBTWCJOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2OS/c1-25-9-3-2-7-15(25)17(12-8-10-27-11-12)24-18(26)13-5-4-6-14(16(13)20)19(21,22)23/h4-6,8,10-11,15,17H,2-3,7,9H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 416.90 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpiperidin-2-yl)-thiophen-3-ylmethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11408387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).