2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide

C19H23FN2O2 — CID 4994805

IUPAC2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H23FN2O2/c1-12-16(13(2)23)10-17(14-6-8-15(20)9-7-14)22(12)11-18(24)21-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,24)
InChIKeyDNGJZWFUPGHPNY-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.72
Rot. Bonds4

About 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide (PubChem CID 4994805) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
PubChem CID4994805
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide
SMILESCC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H23FN2O2/c1-12-16(13(2)23)10-17(14-6-8-15(20)9-7-14)22(12)11-18(24)21-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,24)
InChIKeyDNGJZWFUPGHPNY-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3243313
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(azepan-1-yl)ethanone
CID 3328103
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)propanamide
CID 5062404
3-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-(4-ethoxyphenyl)propanamide
CID 5061569
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone
CID 20969490
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3397645
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 20969537
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20885261
3-[3-[2-(dimethylamino)acetyl]-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]propanoic acid
CID 170895761
3-[5-(4-fluorophenyl)-2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]pyrrol-1-yl]propanoic acid
CID 170861249
N-tert-butyl-2-[2-(2-chloroethyl)-5-fluorobenzimidazol-1-yl]acetamide
CID 115357059
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide (CID 4994805) is 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide is CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC(C)(C)C)c1C.
What is the InChIKey of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide?
The InChIKey is DNGJZWFUPGHPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-16(13(2)23)10-17(14-6-8-15(20)9-7-14)22(12)11-18(24)21-19(3,4)5/h6-10H,11H2,1-5H3,(H,21,24).
What are the key properties of 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide?
2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide has a molecular weight of 330.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(4-fluorophenyl)-2-methylpyrrol-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 4994805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).