1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

C23H28FN3O2 — CID 55962305

IUPAC1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-10-8-17(9-11-20)15-25-21(28)23(12-3-4-13-23)18-6-5-7-19(24)14-18/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyVXJZVIVBEWRVNZ-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.48
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 55962305) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID55962305
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-10-8-17(9-11-20)15-25-21(28)23(12-3-4-13-23)18-6-5-7-19(24)14-18/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,25,28)(H2,26,27,29)
InChIKeyVXJZVIVBEWRVNZ-UHFFFAOYSA-N
XLogP4.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 78885986
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 120651377
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(3-fluorophenyl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94801333

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide (CID 55962305) is 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VXJZVIVBEWRVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16(2)26-22(29)27-20-10-8-17(9-11-20)15-25-21(28)23(12-3-4-13-23)18-6-5-7-19(24)14-18/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,25,28)(H2,26,27,29).
What are the key properties of 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55962305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).