N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide

C14H15FN2O — CID 122392240

IUPACN-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C14H15FN2O/c1-10(18)17-14(2,13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyQRHYWDDCNGKTJW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.55
Rot. Bonds3

About N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide

N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide (PubChem CID 122392240) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
PubChem CID122392240
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC NameN-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)(c1ccc(F)cc1)c1ccc[nH]1
InChIInChI=1S/C14H15FN2O/c1-10(18)17-14(2,13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyQRHYWDDCNGKTJW-UHFFFAOYSA-N
XLogP2.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate
CID 101110537
2-acetamido-2,3-bis(4-fluorophenyl)propanoic acid
CID 23154746
methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
CID 91501243
methyl 4-[1,1-bis(1H-pyrrol-2-yl)ethyl]benzoate
CID 132540985
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
CID 130971072
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
N-(4-acetamidophenyl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197459
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
2-hydroxy-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115140296
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
N-[1-(3,4-difluorophenyl)-1-methylsulfonylethyl]acetamide
CID 144654377

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide (CID 122392240) is N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide is CC(=O)NC(C)(c1ccc(F)cc1)c1ccc[nH]1.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide?
The InChIKey is QRHYWDDCNGKTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(18)17-14(2,13-4-3-9-16-13)11-5-7-12(15)8-6-11/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide?
N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide has a molecular weight of 246.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide is sourced from PubChem (CID 122392240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).