N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

C16H22ClF3N2O — CID 119550376

IUPACN-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCNC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(8-15(22)21(2)14-6-7-20-10-14)12-4-3-5-13(9-12)16(17,18)19;/h3-5,9,11,14,20H,6-8,10H2,1-2H3;1H
InChIKeyVMEUBCZLESEVAN-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride

N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (PubChem CID 119550376) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
PubChem CID119550376
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC NameN-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
SMILESCC(CC(=O)N(C)C1CCNC1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(8-15(22)21(2)14-6-7-20-10-14)12-4-3-5-13(9-12)16(17,18)19;/h3-5,9,11,14,20H,6-8,10H2,1-2H3;1H
InChIKeyVMEUBCZLESEVAN-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 119581679
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119825007
3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551193
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119427331
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide
CID 119550385

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride (CID 119550376) is N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is CC(CC(=O)N(C)C1CCNC1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
The InChIKey is VMEUBCZLESEVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11(8-15(22)21(2)14-6-7-20-10-14)12-4-3-5-13(9-12)16(17,18)19;/h3-5,9,11,14,20H,6-8,10H2,1-2H3;1H.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride?
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119550376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).