N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

C14H15FN2O — CID 11064689

IUPACN-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccn1C
InChIInChI=1S/C14H15FN2O/c1-16-9-3-4-13(16)14(18)17(2)10-11-5-7-12(15)8-6-11/h3-9H,10H2,1-2H3
InChIKeyMTFNELINJFNIGJ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.44
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 11064689) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID11064689
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccn1C
InChIInChI=1S/C14H15FN2O/c1-16-9-3-4-13(16)14(18)17(2)10-11-5-7-12(15)8-6-11/h3-9H,10H2,1-2H3
InChIKeyMTFNELINJFNIGJ-UHFFFAOYSA-N
XLogP2.44
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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MC1568
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Kdoam-25
CID 91810435
Piberaline
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N-(3-(trifluoromethyl)phenyl)pyridine-2-carboxamide
CID 2306530
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
CID 3078470
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (CID 11064689) is N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cccn1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is MTFNELINJFNIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-16-9-3-4-13(16)14(18)17(2)10-11-5-7-12(15)8-6-11/h3-9H,10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 11064689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).