4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

C17H17FN2O2 — CID 24560758

IUPAC4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C17H17FN2O2/c1-11(21)13-8-16(19-9-13)17(22)20(14-6-7-14)10-12-4-2-3-5-15(12)18/h2-5,8-9,14,19H,6-7,10H2,1H3
InChIKeyHADNYLYQOXIHLZ-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.16
Rot. Bonds5

About 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 24560758) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID24560758
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C17H17FN2O2/c1-11(21)13-8-16(19-9-13)17(22)20(14-6-7-14)10-12-4-2-3-5-15(12)18/h2-5,8-9,14,19H,6-7,10H2,1H3
InChIKeyHADNYLYQOXIHLZ-UHFFFAOYSA-N
XLogP3.16
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-cyclopropyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 78851108
N-cyclopropyl-4-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 36746307
1-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]isoquinoline-3-carboxamide
CID 55621998
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 55580589
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71920081
N-[(2-fluorophenyl)methyl]-2-methyl-N-(1-methylpiperidin-4-yl)-3-oxo-1H-pyrazole-5-carboxamide
CID 166244177
2-(5-acetyl-2-methoxyphenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 134013712
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-propoxybenzamide
CID 55772522

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 24560758) is 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HADNYLYQOXIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11(21)13-8-16(19-9-13)17(22)20(14-6-7-14)10-12-4-2-3-5-15(12)18/h2-5,8-9,14,19H,6-7,10H2,1H3.
What are the key properties of 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24560758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).