N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide

C17H16F4N2O — CID 146020610

IUPACN-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)cc2F)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)
InChIKeyHLDSAPKKTAWHGH-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.96
Rot. Bonds4

About N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide

N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 146020610) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID146020610
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC NameN-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)cc2F)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24)
InChIKeyHLDSAPKKTAWHGH-UHFFFAOYSA-N
XLogP3.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide (CID 146020610) is N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide is Cc1c(Cc2ccc(C(F)(F)F)cc2F)c[nH]c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is HLDSAPKKTAWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-9-11(8-22-15(9)16(24)23-13-4-5-13)6-10-2-3-12(7-14(10)18)17(19,20)21/h2-3,7-8,13,22H,4-6H2,1H3,(H,23,24).
What are the key properties of N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide?
N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 146020610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).