4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

C13H11F4N3O — CID 63038394

IUPAC4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H11F4N3O/c1-20-6-8(18)5-11(20)12(21)19-10-4-7(13(15,16)17)2-3-9(10)14/h2-6H,18H2,1H3,(H,19,21)
InChIKeyRMLSFIFUOGEDHY-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.02
Rot. Bonds2

About 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 63038394) has the molecular formula C13H11F4N3O and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID63038394
Molecular FormulaC13H11F4N3O
Molecular Weight301.24 g/mol
Exact Mass301.08
IUPAC Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H11F4N3O/c1-20-6-8(18)5-11(20)12(21)19-10-4-7(13(15,16)17)2-3-9(10)14/h2-6H,18H2,1H3,(H,19,21)
InChIKeyRMLSFIFUOGEDHY-UHFFFAOYSA-N
XLogP3.02
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642876
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330823
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 106759320
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 63038394) is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RMLSFIFUOGEDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O/c1-20-6-8(18)5-11(20)12(21)19-10-4-7(13(15,16)17)2-3-9(10)14/h2-6H,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 301.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 63038394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).