4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C20H21FN4O2 — CID 18143263

IUPAC4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c1C
InChIInChI=1S/C20H21FN4O2/c1-11-16(13(3)26)12(2)23-17(11)20(27)24-18(19-22-9-10-25(19)4)14-5-7-15(21)8-6-14/h5-10,18,23H,1-4H3,(H,24,27)
InChIKeyISLNZFGRHUBUSW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.23
Rot. Bonds5

About 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 18143263) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID18143263
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c1C
InChIInChI=1S/C20H21FN4O2/c1-11-16(13(3)26)12(2)23-17(11)20(27)24-18(19-22-9-10-25(19)4)14-5-7-15(21)8-6-14/h5-10,18,23H,1-4H3,(H,24,27)
InChIKeyISLNZFGRHUBUSW-UHFFFAOYSA-N
XLogP3.23
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

propan-2-yl 5-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46530456
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
2-methoxyethyl 5-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55718606
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954
5-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 25358425
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 41082737
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 46513330

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 18143263) is 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC(c2ccc(F)cc2)c2nccn2C)c1C.
What is the InChIKey of 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is ISLNZFGRHUBUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11-16(13(3)26)12(2)23-17(11)20(27)24-18(19-22-9-10-25(19)4)14-5-7-15(21)8-6-14/h5-10,18,23H,1-4H3,(H,24,27).
What are the key properties of 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18143263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).