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

C26H25FN2O5 — CID 66883360

IUPAC[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O5/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)34-26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyVIXKUNWSKGZVET-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.55
Rot. Bonds8

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

[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate (PubChem CID 66883360) has the molecular formula C26H25FN2O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
PubChem CID66883360
Molecular FormulaC26H25FN2O5
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C26H25FN2O5/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)34-26(30)28-14-19-8-11-21(31-2)13-23(19)32-3/h4-13,15H,14,16H2,1-3H3,(H,28,30)
InChIKeyVIXKUNWSKGZVET-UHFFFAOYSA-N
XLogP5.55
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
CID 24880679
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-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
N-[(2,4-dimethoxyphenyl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168095
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 6736700
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
CID 139010634
1-[(2,4-dimethoxyphenyl)methyl]-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 87039141
[2-[[4-(sulfanylmethyl)phenyl]carbamoyl]phenyl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 88580429

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate (CID 66883360) is [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2c(-c3ccco3)c(C)cn2Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate?
The InChIKey is VIXKUNWSKGZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O5/c1-17-15-29(16-18-6-9-20(27)10-7-18)25(24(17)22-5-4-12-33-22)34-26(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 [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate?
[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate has a molecular weight of 464.49 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate is sourced from PubChem (CID 66883360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).