N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide

C25H27FN4O4 — CID 46401280

IUPACN-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H27FN4O4/c1-2-5-21(30-25(33)28-15-17-9-11-19(26)12-10-17)23(31)27-16-18-6-3-7-20(14-18)29-24(32)22-8-4-13-34-22/h3-4,6-14,21H,2,5,15-16H2,1H3,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyXXMPMJDMIBMHAY-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.96
Rot. Bonds10

About N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 46401280) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID46401280
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H27FN4O4/c1-2-5-21(30-25(33)28-15-17-9-11-19(26)12-10-17)23(31)27-16-18-6-3-7-20(14-18)29-24(32)22-8-4-13-34-22/h3-4,6-14,21H,2,5,15-16H2,1H3,(H,27,31)(H,29,32)(H2,28,30,33)
InChIKeyXXMPMJDMIBMHAY-UHFFFAOYSA-N
XLogP3.96
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-[3-[[[ethylamino-[(4-fluorophenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111231561
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 87010587
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55541822
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide (CID 46401280) is N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is XXMPMJDMIBMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-2-5-21(30-25(33)28-15-17-9-11-19(26)12-10-17)23(31)27-16-18-6-3-7-20(14-18)29-24(32)22-8-4-13-34-22/h3-4,6-14,21H,2,5,15-16H2,1H3,(H,27,31)(H,29,32)(H2,28,30,33).
What are the key properties of N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 3.96, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46401280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).