2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide

C18H15FN2O — CID 167671596

IUPAC2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide
SMILESCc1cccc(C2=NC=C(C(=O)Nc3ccccc3)C2)c1F
InChIInChI=1S/C18H15FN2O/c1-12-6-5-9-15(17(12)19)16-10-13(11-20-16)18(22)21-14-7-3-2-4-8-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyUJRDYOXRZBARNA-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.85
Rot. Bonds3

About 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide

2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide (PubChem CID 167671596) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide
PubChem CID167671596
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide
SMILESCc1cccc(C2=NC=C(C(=O)Nc3ccccc3)C2)c1F
InChIInChI=1S/C18H15FN2O/c1-12-6-5-9-15(17(12)19)16-10-13(11-20-16)18(22)21-14-7-3-2-4-8-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyUJRDYOXRZBARNA-UHFFFAOYSA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
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2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
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5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
5-methyl-N-phenyl-1H-imidazole-2-carboxamide
CID 126500296
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
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3-fluoro-N-(3-methyl-4-phenylphenyl)pyrazine-2-carboxamide
CID 174491616
2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
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CID 135819094

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide (CID 167671596) is 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide is Cc1cccc(C2=NC=C(C(=O)Nc3ccccc3)C2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide?
The InChIKey is UJRDYOXRZBARNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-12-6-5-9-15(17(12)19)16-10-13(11-20-16)18(22)21-14-7-3-2-4-8-14/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide?
2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenyl)-N-phenyl-3H-pyrrole-4-carboxamide is sourced from PubChem (CID 167671596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).