N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide

C16H23FN2O — CID 43020482

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-19(2)15(13-8-5-9-14(17)10-13)11-18-16(20)12-6-3-4-7-12/h5,8-10,12,15H,3-4,6-7,11H2,1-2H3,(H,18,20)
InChIKeyGKVHQTBEJHYTNT-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide (PubChem CID 43020482) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
PubChem CID43020482
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
SMILESCN(C)C(CNC(=O)C1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-19(2)15(13-8-5-9-14(17)10-13)11-18-16(20)12-6-3-4-7-12/h5,8-10,12,15H,3-4,6-7,11H2,1-2H3,(H,18,20)
InChIKeyGKVHQTBEJHYTNT-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 43046953
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 34967946
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
(2S)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39956758
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide (CID 43020482) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide is CN(C)C(CNC(=O)C1CCCC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is GKVHQTBEJHYTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19(2)15(13-8-5-9-14(17)10-13)11-18-16(20)12-6-3-4-7-12/h5,8-10,12,15H,3-4,6-7,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 43020482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).