4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

C18H21FN2O2 — CID 3338789

IUPAC4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-3-13(4-2)17(22)14-9-16(20-11-14)18(23)21-10-12-5-7-15(19)8-6-12/h5-9,11,13,20H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyRWPVPOPCPXOFLT-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.70
Rot. Bonds7

About 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 3338789) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID3338789
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O2/c1-3-13(4-2)17(22)14-9-16(20-11-14)18(23)21-10-12-5-7-15(19)8-6-12/h5-9,11,13,20H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyRWPVPOPCPXOFLT-UHFFFAOYSA-N
XLogP3.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 3790675
4-(2-ethylbutanoyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 3510893
4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylic acid
CID 1489186
4-acetyl-N-[[4-(diethylaminomethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 8948537
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
N-benzyl-4-(2-cyanoacetyl)-1H-pyrrole-2-carboxamide;ethane
CID 142162011
N-[(4-cyanophenyl)methyl]-4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 171483221
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 3338789) is 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is CCC(CC)C(=O)c1c[nH]c(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RWPVPOPCPXOFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-13(4-2)17(22)14-9-16(20-11-14)18(23)21-10-12-5-7-15(19)8-6-12/h5-9,11,13,20H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3338789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).