2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

C14H15FN2O — CID 110782492

IUPAC2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-17-7-6-12(10-17)9-16-14(18)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIQTQJHHRRNUWGW-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.02
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (PubChem CID 110782492) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
PubChem CID110782492
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)Cc2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O/c1-17-7-6-12(10-17)9-16-14(18)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,16,18)
InChIKeyIQTQJHHRRNUWGW-UHFFFAOYSA-N
XLogP2.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
2-(4-fluorophenyl)-N-(furan-3-ylmethyl)acetamide
CID 47285310
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106390836
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103722339
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 75439636
5-amino-N-[(1-methylpyrrol-3-yl)methyl]hexanamide
CID 106390854

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (CID 110782492) is 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The InChIKey is IQTQJHHRRNUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-17-7-6-12(10-17)9-16-14(18)8-11-2-4-13(15)5-3-11/h2-7,10H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide has a molecular weight of 246.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 110782492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).