2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C15H18ClF3N2O — CID 143551121

IUPAC2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H18ClF3N2O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22)
InChIKeyKBDRIFBTZUENEB-UHFFFAOYSA-N
MW334.77 g/mol
LogP3.57
Rot. Bonds4

About 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 143551121) has the molecular formula C15H18ClF3N2O and a molecular weight of 334.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID143551121
Molecular FormulaC15H18ClF3N2O
Molecular Weight334.77 g/mol
Exact Mass334.11
IUPAC Name2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C15H18ClF3N2O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22)
InChIKeyKBDRIFBTZUENEB-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

anisole;2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 143551131
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 175740538
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 24756561
2-chloro-N-[(1S)-1-(2-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 24757598
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 94115261
2-chloro-N-[(1S)-1-(3-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide;(1S)-1-(3-methoxyphenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 159703398
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2-chloro-N-[(S)-[(2R,6R)-1,6-dimethylpiperidin-2-yl]-phenylmethyl]-3-(trifluoromethyl)benzamide
CID 11998344
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 143551121) is 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is CC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KBDRIFBTZUENEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O/c1-10-4-3-8-21(10)9-7-20-14(22)11-5-2-6-12(13(11)16)15(17,18)19/h2,5-6,10H,3-4,7-9H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 334.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143551121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).