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

C13H11ClF3N3O — CID 43642876

IUPAC4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-20-6-8(18)5-11(20)12(21)19-10-3-2-7(14)4-9(10)13(15,16)17/h2-6H,18H2,1H3,(H,19,21)
InChIKeyQRGPWZGMOIELBL-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.53
Rot. Bonds2

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

4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43642876) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID43642876
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-20-6-8(18)5-11(20)12(21)19-10-3-2-7(14)4-9(10)13(15,16)17/h2-6H,18H2,1H3,(H,19,21)
InChIKeyQRGPWZGMOIELBL-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-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61104697
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide (CID 43642876) is 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QRGPWZGMOIELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-20-6-8(18)5-11(20)12(21)19-10-3-2-7(14)4-9(10)13(15,16)17/h2-6H,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[4-chloro-2-(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-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).