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

C13H13FN2O — CID 10889774

IUPACN-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H13FN2O/c1-16-8-4-7-12(16)13(17)15-9-10-5-2-3-6-11(10)14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyRGLLVTXHSVIJPL-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.09
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 10889774) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID10889774
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C13H13FN2O/c1-16-8-4-7-12(16)13(17)15-9-10-5-2-3-6-11(10)14/h2-8H,9H2,1H3,(H,15,17)
InChIKeyRGLLVTXHSVIJPL-UHFFFAOYSA-N
XLogP2.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-[(2-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 75489414
N-[[5-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 91888259
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
2-bromo-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 82109819
2,2-dimethyl-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 81369355
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 10889774) is N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RGLLVTXHSVIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-16-8-4-7-12(16)13(17)15-9-10-5-2-3-6-11(10)14/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 232.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 10889774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).