2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine

C32H34F2N6O4 — CID 58357283

IUPAC2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine
SMILESCn1cc(CC(=O)c2cc(CC(=O)c3cc(CC(=O)c4ccc(F)cc4F)cn3C)cn2C)cc1C(=O)CCCN=C(N)N
InChIInChI=1S/C32H34F2N6O4/c1-38-17-20(9-25(38)28(41)5-4-8-37-32(35)36)13-30(43)27-11-21(18-40(27)3)14-31(44)26-10-19(16-39(26)2)12-29(42)23-7-6-22(33)15-24(23)34/h6-7,9-11,15-18H,4-5,8,12-14H2,1-3H3,(H4,35,36,37)
InChIKeyCEFJIVSULSXBAX-UHFFFAOYSA-N
MW604.66 g/mol
LogP3.49
Rot. Bonds14

About 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine

2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine (PubChem CID 58357283) has the molecular formula C32H34F2N6O4 and a molecular weight of 604.66 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine.

Molecular Properties

Compound Name2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine
PubChem CID58357283
Molecular FormulaC32H34F2N6O4
Molecular Weight604.66 g/mol
Exact Mass604.26
IUPAC Name2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine
SMILESCn1cc(CC(=O)c2cc(CC(=O)c3cc(CC(=O)c4ccc(F)cc4F)cn3C)cn2C)cc1C(=O)CCCN=C(N)N
InChIInChI=1S/C32H34F2N6O4/c1-38-17-20(9-25(38)28(41)5-4-8-37-32(35)36)13-30(43)27-11-21(18-40(27)3)14-31(44)26-10-19(16-39(26)2)12-29(42)23-7-6-22(33)15-24(23)34/h6-7,9-11,15-18H,4-5,8,12-14H2,1-3H3,(H4,35,36,37)
InChIKeyCEFJIVSULSXBAX-UHFFFAOYSA-N
XLogP3.49
TPSA147.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.66
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine with MolForge

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Related Compounds

N-[2-(diaminomethylideneamino)ethyl]-4-[(2,4-difluorobenzoyl)amino]-1-methylpyrrole-2-carboxamide
CID 59682177
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
1-(2,4-difluorophenyl)-2-(4-iodophenyl)ethanone
CID 65478906
1-(2,4-difluorophenyl)dodecan-1-one
CID 65448734
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 58357323
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 141003424
1-(2,4-difluorophenyl)-4-methylpentane-1,3-dione
CID 63319815
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
2,4-difluorobenzamide;dihydrochloride
CID 22032026

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine?
The IUPAC name of 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine (CID 58357283) is 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine.
What is the SMILES notation for 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine?
The canonical SMILES for 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine is Cn1cc(CC(=O)c2cc(CC(=O)c3cc(CC(=O)c4ccc(F)cc4F)cn3C)cn2C)cc1C(=O)CCCN=C(N)N.
What is the InChIKey of 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine?
The InChIKey is CEFJIVSULSXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O4/c1-38-17-20(9-25(38)28(41)5-4-8-37-32(35)36)13-30(43)27-11-21(18-40(27)3)14-31(44)26-10-19(16-39(26)2)12-29(42)23-7-6-22(33)15-24(23)34/h6-7,9-11,15-18H,4-5,8,12-14H2,1-3H3,(H4,35,36,37).
What are the key properties of 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine?
2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine has a molecular weight of 604.66 g/mol, XLogP of 3.49, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[4-[2-[4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-2-oxoethyl]-1-methylpyrrol-2-yl]-4-oxobutyl]guanidine is sourced from PubChem (CID 58357283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).