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

C20H24F2N2O2 — CID 159605673

IUPACN-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
SMILESCOC1CCC(N(Cc2cc(F)ccc2F)C(=O)C2=CC(C)=NC2)CC1
InChIInChI=1S/C20H24F2N2O2/c1-13-9-14(11-23-13)20(25)24(17-4-6-18(26-2)7-5-17)12-15-10-16(21)3-8-19(15)22/h3,8-10,17-18H,4-7,11-12H2,1-2H3
InChIKeyMMAXVKSKEXRVDJ-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.65
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide (PubChem CID 159605673) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
PubChem CID159605673
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide
SMILESCOC1CCC(N(Cc2cc(F)ccc2F)C(=O)C2=CC(C)=NC2)CC1
InChIInChI=1S/C20H24F2N2O2/c1-13-9-14(11-23-13)20(25)24(17-4-6-18(26-2)7-5-17)12-15-10-16(21)3-8-19(15)22/h3,8-10,17-18H,4-7,11-12H2,1-2H3
InChIKeyMMAXVKSKEXRVDJ-UHFFFAOYSA-N
XLogP3.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide (CID 159605673) is N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide is COC1CCC(N(Cc2cc(F)ccc2F)C(=O)C2=CC(C)=NC2)CC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
The InChIKey is MMAXVKSKEXRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-13-9-14(11-23-13)20(25)24(17-4-6-18(26-2)7-5-17)12-15-10-16(21)3-8-19(15)22/h3,8-10,17-18H,4-7,11-12H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide?
N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-N-(4-methoxycyclohexyl)-5-methyl-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 159605673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).