4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

C20H21F3N2O — CID 72568758

IUPAC4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(=CC(C)(C)C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H21F3N2O/c1-13(11-19(2,3)4)14-5-7-15(8-6-14)18(26)25-17-10-9-16(12-24-17)20(21,22)23/h5-12H,1-4H3,(H,24,25,26)
InChIKeyJABNXJFIXQIBQX-UHFFFAOYSA-N
MW362.40 g/mol
LogP5.80
Rot. Bonds3

About 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide

4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 72568758) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID72568758
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(=CC(C)(C)C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C20H21F3N2O/c1-13(11-19(2,3)4)14-5-7-15(8-6-14)18(26)25-17-10-9-16(12-24-17)20(21,22)23/h5-12H,1-4H3,(H,24,25,26)
InChIKeyJABNXJFIXQIBQX-UHFFFAOYSA-N
XLogP5.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.40
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
4-(3-methoxy-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672591
N-(5-acetyl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167658935
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
(2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide
CID 87598611
N-[6-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
4-tert-butyl-N-[5-(2-methoxyethylamino)-2-pyridinyl]benzamide
CID 113025045
2-(trifluoromethyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]benzamide
CID 87570856
[8-acetyloxy-9,10-dioxo-6-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]anthracen-1-yl] acetate
CID 134153566

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide (CID 72568758) is 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is CC(=CC(C)(C)C)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is JABNXJFIXQIBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-13(11-19(2,3)4)14-5-7-15(8-6-14)18(26)25-17-10-9-16(12-24-17)20(21,22)23/h5-12H,1-4H3,(H,24,25,26).
What are the key properties of 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide?
4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 362.40 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpent-2-en-2-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 72568758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).