(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide

C16H23FN2O — CID 97202386

IUPAC(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
SMILESCCCC1(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C16H23FN2O/c1-4-9-16(10-11-16)18-15(20)14(19(2)3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGIOSHLXFQFPZIE-AWEZNQCLSA-N
MW278.37 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide

(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide (PubChem CID 97202386) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
PubChem CID97202386
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide
SMILESCCCC1(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C16H23FN2O/c1-4-9-16(10-11-16)18-15(20)14(19(2)3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGIOSHLXFQFPZIE-AWEZNQCLSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
1-[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]-N-methylcyclohexane-1-carboxamide
CID 97203905
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 97192526
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methylacetamide
CID 97201308
2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
CID 72878854
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
CID 97205289
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide
CID 72875264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide (CID 97202386) is (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide is CCCC1(NC(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide?
The InChIKey is GIOSHLXFQFPZIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-9-16(10-11-16)18-15(20)14(19(2)3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide?
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide has a molecular weight of 278.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(1-propylcyclopropyl)acetamide is sourced from PubChem (CID 97202386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).