2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C14H13F3N2O — CID 110766224

IUPAC2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)[nH]1
InChIInChI=1S/C14H13F3N2O/c1-8-7-12(9(2)18-8)13(20)19-11-5-3-10(4-6-11)14(15,16)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyDMADNUSHDSUYII-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.90
Rot. Bonds2

About 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 110766224) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID110766224
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)[nH]1
InChIInChI=1S/C14H13F3N2O/c1-8-7-12(9(2)18-8)13(20)19-11-5-3-10(4-6-11)14(15,16)17/h3-7,18H,1-2H3,(H,19,20)
InChIKeyDMADNUSHDSUYII-UHFFFAOYSA-N
XLogP3.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
trans-(1R,2R)-2-[4-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 154807935
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2,4,6-trimethyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 110860959
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxamide
CID 110683987
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
6-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113207376
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 110766224) is 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is DMADNUSHDSUYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-8-7-12(9(2)18-8)13(20)19-11-5-3-10(4-6-11)14(15,16)17/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).