N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H22ClF3N2O2 — CID 119315072

IUPACN-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(2)23-12-6-5-11(13(8-12)16(17,18)19)9-21-15(22)14-4-3-7-20-14;/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3,(H,21,22);1H
InChIKeyROGSQYUCFQOPAX-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.28
Rot. Bonds5

About N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119315072) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119315072
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC NameN-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(2)23-12-6-5-11(13(8-12)16(17,18)19)9-21-15(22)14-4-3-7-20-14;/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3,(H,21,22);1H
InChIKeyROGSQYUCFQOPAX-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
(2S)-N-[[2,4-bis(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 84588646
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119280457
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030929

Frequently Asked Questions

What is the IUPAC name of N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119315072) is N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)Oc1ccc(CNC(=O)C2CCCN2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ROGSQYUCFQOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-10(2)23-12-6-5-11(13(8-12)16(17,18)19)9-21-15(22)14-4-3-7-20-14;/h5-6,8,10,14,20H,3-4,7,9H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).