2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide

C22H26FN3O2 — CID 156825138

IUPAC2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H26FN3O2/c23-19-9-5-17(6-10-19)15-25-22(28)26-20-11-7-18(8-12-20)14-24-21(27)13-16-3-1-2-4-16/h5-12,16H,1-4,13-15H2,(H,24,27)(H2,25,26,28)
InChIKeyLEVNPGQLKLNSOX-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.34
Rot. Bonds7

About 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide

2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide (PubChem CID 156825138) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
PubChem CID156825138
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
SMILESO=C(CC1CCCC1)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H26FN3O2/c23-19-9-5-17(6-10-19)15-25-22(28)26-20-11-7-18(8-12-20)14-24-21(27)13-16-3-1-2-4-16/h5-12,16H,1-4,13-15H2,(H,24,27)(H2,25,26,28)
InChIKeyLEVNPGQLKLNSOX-UHFFFAOYSA-N
XLogP4.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
N-[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108933910
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
2-cyano-N-[4-[[(2-cyclopentylacetyl)amino]methyl]phenyl]acetamide
CID 108923367
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
N-cyclohexyl-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057684
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide (CID 156825138) is 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide is O=C(CC1CCCC1)NCc1ccc(NC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
The InChIKey is LEVNPGQLKLNSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-9-5-17(6-10-19)15-25-22(28)26-20-11-7-18(8-12-20)14-24-21(27)13-16-3-1-2-4-16/h5-12,16H,1-4,13-15H2,(H,24,27)(H2,25,26,28).
What are the key properties of 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide?
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 156825138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).