5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C28H27F2N3O3 — CID 42787222

IUPAC5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCc2ccc(F)cc2)o1)C(=O)c1ccccc1F
InChIInChI=1S/C28H27F2N3O3/c1-2-15-33(28(35)24-7-3-4-8-25(24)30)18-22-6-5-16-32(22)19-23-13-14-26(36-23)27(34)31-17-20-9-11-21(29)12-10-20/h3-14,16H,2,15,17-19H2,1H3,(H,31,34)
InChIKeyYPURYQBGGBMMRZ-UHFFFAOYSA-N
MW491.54 g/mol
LogP5.39
Rot. Bonds10

About 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 42787222) has the molecular formula C28H27F2N3O3 and a molecular weight of 491.54 g/mol. Its IUPAC name is 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID42787222
Molecular FormulaC28H27F2N3O3
Molecular Weight491.54 g/mol
Exact Mass491.20
IUPAC Name5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NCc2ccc(F)cc2)o1)C(=O)c1ccccc1F
InChIInChI=1S/C28H27F2N3O3/c1-2-15-33(28(35)24-7-3-4-8-25(24)30)18-22-6-5-16-32(22)19-23-13-14-26(36-23)27(34)31-17-20-9-11-21(29)12-10-20/h3-14,16H,2,15,17-19H2,1H3,(H,31,34)
InChIKeyYPURYQBGGBMMRZ-UHFFFAOYSA-N
XLogP5.39
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42787082
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42787109
5-[[2-[[(2-fluorophenyl)carbamoyl-propylamino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42787349
5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42787378
5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416
5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
CID 7289233
5-[[2-[[furan-2-carbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 5107289
5-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide
CID 42787157
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42787248
N-[[1-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 42787091
N-(3-methoxypropyl)-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7497847

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 42787222) is 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)NCc2ccc(F)cc2)o1)C(=O)c1ccccc1F.
What is the InChIKey of 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is YPURYQBGGBMMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O3/c1-2-15-33(28(35)24-7-3-4-8-25(24)30)18-22-6-5-16-32(22)19-23-13-14-26(36-23)27(34)31-17-20-9-11-21(29)12-10-20/h3-14,16H,2,15,17-19H2,1H3,(H,31,34).
What are the key properties of 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 5.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 42787222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).