N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

C26H25FN2O4 — CID 24880679

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyOLLOOLBGOJQBHR-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.19
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (PubChem CID 24880679) has the molecular formula C26H25FN2O4 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
PubChem CID24880679
Molecular FormulaC26H25FN2O4
Molecular Weight448.49 g/mol
Exact Mass448.18
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyOLLOOLBGOJQBHR-UHFFFAOYSA-N
XLogP5.19
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 66883360
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
2-N-[(2,4-dimethoxyphenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278983
3-(2-chloro-6-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46590142
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide (CID 24880679) is N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is COc1ccc(CNC(=O)c2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
The InChIKey is OLLOOLBGOJQBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O4/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide is sourced from PubChem (CID 24880679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).