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

C14H14F3N3O — CID 43642862

IUPAC4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O/c1-2-20-8-10(18)7-12(20)13(21)19-11-5-3-9(4-6-11)14(15,16)17/h3-8H,2,18H2,1H3,(H,19,21)
InChIKeyIOCJYYNAEHOSPS-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.36
Rot. Bonds3

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

4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 43642862) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
PubChem CID43642862
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H14F3N3O/c1-2-20-8-10(18)7-12(20)13(21)19-11-5-3-9(4-6-11)14(15,16)17/h3-8H,2,18H2,1H3,(H,19,21)
InChIKeyIOCJYYNAEHOSPS-UHFFFAOYSA-N
XLogP3.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(3-chloro-5-fluorophenyl)-1-ethylpyrrole-2-carboxamide
CID 107363420
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
4-amino-N-(4-cyanophenyl)-1-propylpyrrole-2-carboxamide
CID 43642348
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 61112066
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (CID 43642862) is 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is IOCJYYNAEHOSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-20-8-10(18)7-12(20)13(21)19-11-5-3-9(4-6-11)14(15,16)17/h3-8H,2,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43642862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).