4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide

C15H13FN4O — CID 167790330

IUPAC4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2cc(F)c[nH]2)[nH]1
InChIInChI=1S/C15H13FN4O/c1-9-7-18-14(19-9)11-4-2-3-5-12(11)20-15(21)13-6-10(16)8-17-13/h2-8,17H,1H3,(H,18,19)(H,20,21)
InChIKeyRXXCOGMLWBCUDX-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds3

About 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide

4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 167790330) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID167790330
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc(-c2ccccc2NC(=O)c2cc(F)c[nH]2)[nH]1
InChIInChI=1S/C15H13FN4O/c1-9-7-18-14(19-9)11-4-2-3-5-12(11)20-15(21)13-6-10(16)8-17-13/h2-8,17H,1H3,(H,18,19)(H,20,21)
InChIKeyRXXCOGMLWBCUDX-UHFFFAOYSA-N
XLogP3.10
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1,2-thiazole-4-carboxamide
CID 166366294
5-bromo-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]furan-2-carboxamide
CID 167918709
1-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-4-sulfamoylpyrrole-2-carboxamide
CID 166186064
2-(2,3-difluorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 71847061
2-N-[2-(1H-imidazol-2-yl)phenyl]-1H-pyrrole-2,4-dicarboxamide
CID 167859788
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]propanamide
CID 166227113
4-fluoro-N-[2-(4-prop-2-enoylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 172890098
4-fluoro-N-methyl-1H-pyrrole-2-carboxamide
CID 130962748
4-fluoro-N-(3-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 126771598
2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide
CID 175235857
4-bromo-N-(2-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 47116125

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 167790330) is 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide is Cc1cnc(-c2ccccc2NC(=O)c2cc(F)c[nH]2)[nH]1.
What is the InChIKey of 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RXXCOGMLWBCUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-7-18-14(19-9)11-4-2-3-5-12(11)20-15(21)13-6-10(16)8-17-13/h2-8,17H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167790330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).