N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide

C20H25FN2O2 — CID 146761822

IUPACN-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
SMILESCOC1CCC(N(Cc2cccc(F)c2)C(=O)C2=CC(C)=NC2)CC1
InChIInChI=1S/C20H25FN2O2/c1-14-10-16(12-22-14)20(24)23(13-15-4-3-5-17(21)11-15)18-6-8-19(25-2)9-7-18/h3-5,10-11,18-19H,6-9,12-13H2,1-2H3
InChIKeyRPOSOUVDZQRNQM-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.51
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide

N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide (PubChem CID 146761822) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
PubChem CID146761822
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
SMILESCOC1CCC(N(Cc2cccc(F)c2)C(=O)C2=CC(C)=NC2)CC1
InChIInChI=1S/C20H25FN2O2/c1-14-10-16(12-22-14)20(24)23(13-15-4-3-5-17(21)11-15)18-6-8-19(25-2)9-7-18/h3-5,10-11,18-19H,6-9,12-13H2,1-2H3
InChIKeyRPOSOUVDZQRNQM-UHFFFAOYSA-N
XLogP3.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide (CID 146761822) is N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide is COC1CCC(N(Cc2cccc(F)c2)C(=O)C2=CC(C)=NC2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The InChIKey is RPOSOUVDZQRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14-10-16(12-22-14)20(24)23(13-15-4-3-5-17(21)11-15)18-6-8-19(25-2)9-7-18/h3-5,10-11,18-19H,6-9,12-13H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 146761822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).