N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C23H27FN2O2 — CID 78885986

IUPACN-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C23H27FN2O2/c1-2-7-21(27)26-20-11-5-8-17(14-20)16-25-22(28)23(12-3-4-13-23)18-9-6-10-19(24)15-18/h5-6,8-11,14-15H,2-4,7,12-13,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyVFDJZWBZOWJRJM-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.69
Rot. Bonds7

About N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 78885986) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID78885986
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C23H27FN2O2/c1-2-7-21(27)26-20-11-5-8-17(14-20)16-25-22(28)23(12-3-4-13-23)18-9-6-10-19(24)15-18/h5-6,8-11,14-15H,2-4,7,12-13,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyVFDJZWBZOWJRJM-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26114516
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CID 55962305
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-[3-[[[N-[(3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 111876256
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
[2-(3-fluoroanilino)-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2387321
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 78885986) is N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is VFDJZWBZOWJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-2-7-21(27)26-20-11-5-8-17(14-20)16-25-22(28)23(12-3-4-13-23)18-9-6-10-19(24)15-18/h5-6,8-11,14-15H,2-4,7,12-13,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 382.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 78885986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).