4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

C12H10F3N3O — CID 43642725

IUPAC4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-1-2-4-9(8)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyMUBVYFRKSHXETK-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.87
Rot. Bonds2

About 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43642725) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43642725
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)8-3-1-2-4-9(8)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyMUBVYFRKSHXETK-UHFFFAOYSA-N
XLogP2.87
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43643197
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
CID 54963208
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
4-amino-N-quinolin-8-yl-1H-pyrrole-2-carboxamide
CID 43642698
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136666349

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 43642725) is 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MUBVYFRKSHXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)8-3-1-2-4-9(8)18-11(19)10-5-7(16)6-17-10/h1-6,17H,16H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).