4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

C14H14F3N3O — CID 43642800

IUPAC4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O/c1-20-8-11(18)6-12(20)13(21)19-7-9-3-2-4-10(5-9)14(15,16)17/h2-6,8H,7,18H2,1H3,(H,19,21)
InChIKeyNQQHQZJNHRMURR-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.56
Rot. Bonds3

About 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 43642800) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
PubChem CID43642800
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O/c1-20-8-11(18)6-12(20)13(21)19-7-9-3-2-4-10(5-9)14(15,16)17/h2-6,8H,7,18H2,1H3,(H,19,21)
InChIKeyNQQHQZJNHRMURR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
1-methyl-3-(1-methylpyrrol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42759501
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886
2-amino-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 61265568
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide (CID 43642800) is 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is NQQHQZJNHRMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-20-8-11(18)6-12(20)13(21)19-7-9-3-2-4-10(5-9)14(15,16)17/h2-6,8H,7,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide?
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43642800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).