N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

C23H24FN3O2 — CID 86926160

IUPACN-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(C)n(C(C)c3ccccc3)c2C)ccc1F
InChIInChI=1S/C23H24FN3O2/c1-14-12-20(16(3)27(14)15(2)18-8-6-5-7-9-18)23(29)26-19-10-11-21(24)22(13-19)25-17(4)28/h5-13,15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyYMYRHFBLPDRIDH-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.06
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 86926160) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID86926160
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(C)n(C(C)c3ccccc3)c2C)ccc1F
InChIInChI=1S/C23H24FN3O2/c1-14-12-20(16(3)27(14)15(2)18-8-6-5-7-9-18)23(29)26-19-10-11-21(24)22(13-19)25-17(4)28/h5-13,15H,1-4H3,(H,25,28)(H,26,29)
InChIKeyYMYRHFBLPDRIDH-UHFFFAOYSA-N
XLogP5.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 71855695
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
N-(3-acetamido-4-fluorophenyl)-2-(2-phenylethyl)benzamide
CID 55532787
N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
CID 31851493
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[5-[[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785703
N-[5-[[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]carbamoylamino]-2-fluorophenyl]acetamide
CID 99785702
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78876208
2,5-dimethyl-1-(1-phenylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole-3-carboxamide
CID 78852684
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
CID 167130281

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (CID 86926160) is N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2cc(C)n(C(C)c3ccccc3)c2C)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is YMYRHFBLPDRIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-14-12-20(16(3)27(14)15(2)18-8-6-5-7-9-18)23(29)26-19-10-11-21(24)22(13-19)25-17(4)28/h5-13,15H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86926160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).