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

C13H11ClF3N3O — CID 43642583

IUPAC4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H11ClF3N3O/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)
InChIKeyKBQCAYGWZHZTEU-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.53
Rot. Bonds2

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

4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43642583) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID43642583
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H11ClF3N3O/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)
InChIKeyKBQCAYGWZHZTEU-UHFFFAOYSA-N
XLogP3.53
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
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CID 43642621
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methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
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4-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 104722153
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3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
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CID 2396545
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 43642583) is 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is KBQCAYGWZHZTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/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-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 317.70 g/mol, XLogP of 3.53, 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-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).