N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C16H22FN3O2 — CID 9251711

IUPACN-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22)
InChIKeyNIRJQPLBGBIUFY-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.03
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9251711) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9251711
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22)
InChIKeyNIRJQPLBGBIUFY-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)acetamide
CID 9040584
4-[[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123296
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
N-(cyclopentylcarbamoyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 55543794
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 9251711) is N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccc(F)cc1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is NIRJQPLBGBIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-20(10-12-6-8-13(17)9-7-12)11-15(21)19-16(22)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,18,19,21,22).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 307.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9251711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).