4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

C12H9ClF3N3O — CID 43643197

IUPAC4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2c(Cl)cccc2C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(12(14,15)16)10(8)19-11(20)9-4-6(17)5-18-9/h1-5,18H,17H2,(H,19,20)
InChIKeyFXTKUUPCPZZURE-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.52
Rot. Bonds2

About 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 43643197) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID43643197
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2c(Cl)cccc2C(F)(F)F)c1
InChIInChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(12(14,15)16)10(8)19-11(20)9-4-6(17)5-18-9/h1-5,18H,17H2,(H,19,20)
InChIKeyFXTKUUPCPZZURE-UHFFFAOYSA-N
XLogP3.52
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2,4,6-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643281
N-[2-chloro-6-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 158004002
4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43642713
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 63107427
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylguanidine
CID 62379408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (CID 43643197) is 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2c(Cl)cccc2C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FXTKUUPCPZZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c13-8-3-1-2-7(12(14,15)16)10(8)19-11(20)9-4-6(17)5-18-9/h1-5,18H,17H2,(H,19,20).
What are the key properties of 4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.52, 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-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).