N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide

C17H18F2N2O2 — CID 75393612

IUPACN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H18F2N2O2/c1-11-13(4-7-20-11)16(22)21-17(5-8-23-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10,20H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyGIHIDRMLLSVGHB-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.04
Rot. Bonds3

About N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide

N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 75393612) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID75393612
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C17H18F2N2O2/c1-11-13(4-7-20-11)16(22)21-17(5-8-23-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10,20H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyGIHIDRMLLSVGHB-UHFFFAOYSA-N
XLogP3.04
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809690
2-(3-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809691
2-(4-Fluoro-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809692
5-(3-Fluoro-pyridin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809762
2-cyclohexyl-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788628
5-(3-fluoro-4-pyridinyl)-2-(2-methylphenyl)-1H-pyrrole-3-carboxamide
CID 24809763
ethyl 4-({[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3235851
2-methyl-1-(3-morpholin-4-ylpropyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 71465913
2-(3-acetamidophenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 57659268
5-(4-fluorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 22518217
4-(4-fluorophenyl)-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
CID 49670742
6-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 53010813

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide (CID 75393612) is N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is GIHIDRMLLSVGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11-13(4-7-20-11)16(22)21-17(5-8-23-9-6-17)14-3-2-12(18)10-15(14)19/h2-4,7,10,20H,5-6,8-9H2,1H3,(H,21,22).
What are the key properties of N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75393612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).