3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C18H21F3N2O — CID 46127402

IUPAC3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(C(F)(F)F)c2)c1C(=O)NC(C)C
InChIInChI=1S/C18H21F3N2O/c1-11(2)22-17(24)16-12(3)8-13(4)23(16)10-14-6-5-7-15(9-14)18(19,20)21/h5-9,11H,10H2,1-4H3,(H,22,24)
InChIKeyADSUGBDNWXMEGM-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.31
Rot. Bonds4

About 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 46127402) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID46127402
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2cccc(C(F)(F)F)c2)c1C(=O)NC(C)C
InChIInChI=1S/C18H21F3N2O/c1-11(2)22-17(24)16-12(3)8-13(4)23(16)10-14-6-5-7-15(9-14)18(19,20)21/h5-9,11H,10H2,1-4H3,(H,22,24)
InChIKeyADSUGBDNWXMEGM-UHFFFAOYSA-N
XLogP4.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129453025
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CID 60691144
N-[(4-fluorophenyl)methyl]-3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42789788
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
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3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
5,7-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridin-2-one
CID 16654130
1-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 27042254
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
methyl (2R)-2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 71204758
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 46127402) is 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is Cc1cc(C)n(Cc2cccc(C(F)(F)F)c2)c1C(=O)NC(C)C.
What is the InChIKey of 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is ADSUGBDNWXMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-11(2)22-17(24)16-12(3)8-13(4)23(16)10-14-6-5-7-15(9-14)18(19,20)21/h5-9,11H,10H2,1-4H3,(H,22,24).
What are the key properties of 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 46127402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).