1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide

C16H22FN3O2 — CID 97205791

IUPAC1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NC1(C(N)=O)CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-20(2)13(11-6-5-7-12(17)10-11)14(21)19-16(15(18)22)8-3-4-9-16/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1
InChIKeyWSBSQSLUYAAYNH-CYBMUJFWSA-N
MW307.37 g/mol
LogP1.34
Rot. Bonds5

About 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide

1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 97205791) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID97205791
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCN(C)[C@@H](C(=O)NC1(C(N)=O)CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FN3O2/c1-20(2)13(11-6-5-7-12(17)10-11)14(21)19-16(15(18)22)8-3-4-9-16/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1
InChIKeyWSBSQSLUYAAYNH-CYBMUJFWSA-N
XLogP1.34
TPSA75.43 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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 97145403
1-[[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)acetyl]amino]cyclopentane-1-carboxamide
CID 91837261
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
1-[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 72869919
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 97194521
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
1-(4,4-difluoropiperidin-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 72898908
(2S)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(dimethylamino)-2-(3-fluorophenyl)ethanone
CID 97193247
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573
1-[(3-amino-2-methyl-3-phenylpropanoyl)amino]cyclohexane-1-carboxamide
CID 119735685
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116912777

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide (CID 97205791) is 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide is CN(C)[C@@H](C(=O)NC1(C(N)=O)CCCC1)c1cccc(F)c1.
What is the InChIKey of 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is WSBSQSLUYAAYNH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-20(2)13(11-6-5-7-12(17)10-11)14(21)19-16(15(18)22)8-3-4-9-16/h5-7,10,13H,3-4,8-9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide?
1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 97205791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).