2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide

C15H17F2N3O — CID 62472762

IUPAC2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2cc(C(N)=O)c(F)cc2F)c(C)n1C
InChIInChI=1S/C15H17F2N3O/c1-8-4-10(9(2)20(8)3)7-19-14-5-11(15(18)21)12(16)6-13(14)17/h4-6,19H,7H2,1-3H3,(H2,18,21)
InChIKeyWUQPAVKGOMBHDR-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.63
Rot. Bonds4

About 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide

2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide (PubChem CID 62472762) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
PubChem CID62472762
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2cc(C(N)=O)c(F)cc2F)c(C)n1C
InChIInChI=1S/C15H17F2N3O/c1-8-4-10(9(2)20(8)3)7-19-14-5-11(15(18)21)12(16)6-13(14)17/h4-6,19H,7H2,1-3H3,(H2,18,21)
InChIKeyWUQPAVKGOMBHDR-UHFFFAOYSA-N
XLogP2.63
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62474919
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
4-fluoro-2-iodo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 79769306
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide (CID 62472762) is 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide is Cc1cc(CNc2cc(C(N)=O)c(F)cc2F)c(C)n1C.
What is the InChIKey of 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is WUQPAVKGOMBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-8-4-10(9(2)20(8)3)7-19-14-5-11(15(18)21)12(16)6-13(14)17/h4-6,19H,7H2,1-3H3,(H2,18,21).
What are the key properties of 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 293.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 62472762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).