5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide

C13H12F2N2O2 — CID 116828429

IUPAC5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOc1cc(F)c(-c2cc(C(N)=O)c(C)[nH]2)cc1F
InChIInChI=1S/C13H12F2N2O2/c1-6-7(13(16)18)4-11(17-6)8-3-10(15)12(19-2)5-9(8)14/h3-5,17H,1-2H3,(H2,16,18)
InChIKeyLFCQKEFNNRRPJK-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.38
Rot. Bonds3

About 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide

5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 116828429) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID116828429
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCOc1cc(F)c(-c2cc(C(N)=O)c(C)[nH]2)cc1F
InChIInChI=1S/C13H12F2N2O2/c1-6-7(13(16)18)4-11(17-6)8-3-10(15)12(19-2)5-9(8)14/h3-5,17H,1-2H3,(H2,16,18)
InChIKeyLFCQKEFNNRRPJK-UHFFFAOYSA-N
XLogP2.38
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(2-fluorophenoxy)phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 90413637
2-methyl-5-[4-(3,4,5-trimethoxyphenyl)phenyl]-1H-pyrrole-3-carboxamide
CID 86299303
5-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82087076
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
2-(carbamoylamino)-5-(4-fluoro-2-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285843
2-[amino(formyl)amino]-5-(2,4,5-trifluorophenyl)-1H-pyrrole-3-carboxamide
CID 174684607
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
5-(2-benzylphenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 90413427
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
(2,5-difluoro-4-methoxyphenyl) methanesulfonate
CID 88541805
5-(2,5-difluoro-4-methoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879938

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 116828429) is 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide is COc1cc(F)c(-c2cc(C(N)=O)c(C)[nH]2)cc1F.
What is the InChIKey of 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is LFCQKEFNNRRPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-6-7(13(16)18)4-11(17-6)8-3-10(15)12(19-2)5-9(8)14/h3-5,17H,1-2H3,(H2,16,18).
What are the key properties of 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluoro-4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 116828429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).