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

C12H10F3N3O — CID 110480984

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-3-4-9(8(16)6-7)18-11(19)10-2-1-5-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyJIRWZACNQVGDNV-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.87
Rot. Bonds2

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

N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 110480984) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID110480984
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)7-3-4-9(8(16)6-7)18-11(19)10-2-1-5-17-10/h1-6,17H,16H2,(H,18,19)
InChIKeyJIRWZACNQVGDNV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[6-(trifluoromethyl)-1H-indazol-3-yl]-1H-pyrrole-2-carboxamide
CID 162634789
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
N-(4-chloro-2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 103767046
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 110480984) is N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JIRWZACNQVGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)7-3-4-9(8(16)6-7)18-11(19)10-2-1-5-17-10/h1-6,17H,16H2,(H,18,19).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[2-amino-4-(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 N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).