4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

C18H17F4N3O2 — CID 134610620

IUPAC4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C(F)(F)F)c[nH]1
InChIInChI=1S/C18H17F4N3O2/c19-13-3-1-2-12(18(20,21)22)15(13)16(26)10-8-14(24-9-10)17(27)25-11-4-6-23-7-5-11/h1-3,8-9,11,23-24H,4-7H2,(H,25,27)
InChIKeyZMIYWUGFVJNKIS-UHFFFAOYSA-N
MW383.35 g/mol
LogP2.89
Rot. Bonds4

About 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 134610620) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID134610620
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C(F)(F)F)c[nH]1
InChIInChI=1S/C18H17F4N3O2/c19-13-3-1-2-12(18(20,21)22)15(13)16(26)10-8-14(24-9-10)17(27)25-11-4-6-23-7-5-11/h1-3,8-9,11,23-24H,4-7H2,(H,25,27)
InChIKeyZMIYWUGFVJNKIS-UHFFFAOYSA-N
XLogP2.89
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopropyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 134610507
4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 118959101
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
N-(1-acetylpiperidin-4-yl)-4-(2-chloro-6-fluorobenzoyl)-1H-pyrrole-2-carboxamide
CID 118958964
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
2-fluoro-N-(4-hydroxycyclohexyl)-3-(trifluoromethyl)benzamide
CID 79884389
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 134610620) is 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is O=C(NC1CCNCC1)c1cc(C(=O)c2c(F)cccc2C(F)(F)F)c[nH]1.
What is the InChIKey of 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is ZMIYWUGFVJNKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c19-13-3-1-2-12(18(20,21)22)15(13)16(26)10-8-14(24-9-10)17(27)25-11-4-6-23-7-5-11/h1-3,8-9,11,23-24H,4-7H2,(H,25,27).
What are the key properties of 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 383.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(trifluoromethyl)benzoyl]-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134610620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).