4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

C13H14FN3O — CID 43642341

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-17-8-10(15)6-12(17)13(18)16-7-9-4-2-3-5-11(9)14/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyGEGFDZHVBKMAIW-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.68
Rot. Bonds3

About 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 43642341) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID43642341
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-17-8-10(15)6-12(17)13(18)16-7-9-4-2-3-5-11(9)14/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyGEGFDZHVBKMAIW-UHFFFAOYSA-N
XLogP1.68
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61102561
N-[(2-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 75489414
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164
4-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 43642800
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 62223456
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 43642341) is 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is GEGFDZHVBKMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-17-8-10(15)6-12(17)13(18)16-7-9-4-2-3-5-11(9)14/h2-6,8H,7,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43642341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).