N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

C19H17FN2O — CID 22518262

IUPACN-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13-17(19(23)21-12-14-5-3-2-4-6-14)11-18(22-13)15-7-9-16(20)10-8-15/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyHBPWIERCAWZVOX-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.06
Rot. Bonds4

About N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide

N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 22518262) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID22518262
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H17FN2O/c1-13-17(19(23)21-12-14-5-3-2-4-6-14)11-18(22-13)15-7-9-16(20)10-8-15/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyHBPWIERCAWZVOX-UHFFFAOYSA-N
XLogP4.06
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66497668
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N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 170695699
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
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N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
5-(4-fluorophenyl)-2-methyl-N-(2-methylcyclohexyl)-1H-pyrrole-3-carboxamide
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N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-1-(2,4-difluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 24718469
N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 22518262) is N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is HBPWIERCAWZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13-17(19(23)21-12-14-5-3-2-4-6-14)11-18(22-13)15-7-9-16(20)10-8-15/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide?
N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 22518262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).