4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H19FN4O2 — CID 47737555

IUPAC4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1C
InChIInChI=1S/C19H19FN4O2/c1-11-17(13(3)25)12(2)23-18(11)19(26)22-9-14-4-5-16(15(20)8-14)24-7-6-21-10-24/h4-8,10,23H,9H2,1-3H3,(H,22,26)
InChIKeyJEWOZJOWRUQTFS-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.09
Rot. Bonds5

About 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 47737555) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID47737555
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1C
InChIInChI=1S/C19H19FN4O2/c1-11-17(13(3)25)12(2)23-18(11)19(26)22-9-14-4-5-16(15(20)8-14)24-7-6-21-10-24/h4-8,10,23H,9H2,1-3H3,(H,22,26)
InChIKeyJEWOZJOWRUQTFS-UHFFFAOYSA-N
XLogP3.09
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
CID 47799450
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47738088
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 47799498
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 47737555) is 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1C.
What is the InChIKey of 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is JEWOZJOWRUQTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-11-17(13(3)25)12(2)23-18(11)19(26)22-9-14-4-5-16(15(20)8-14)24-7-6-21-10-24/h4-8,10,23H,9H2,1-3H3,(H,22,26).
What are the key properties of 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47737555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).