N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide

C16H22ClFN2O2 — CID 75441957

IUPACN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide
SMILESCCC(C(=O)NC1CCOC1c1ccc(Cl)c(F)c1)N(C)C
InChIInChI=1S/C16H22ClFN2O2/c1-4-14(20(2)3)16(21)19-13-7-8-22-15(13)10-5-6-11(17)12(18)9-10/h5-6,9,13-15H,4,7-8H2,1-3H3,(H,19,21)
InChIKeyWMSQHIFKAIWTNZ-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.77
Rot. Bonds5

About N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide

N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide (PubChem CID 75441957) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide
PubChem CID75441957
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide
SMILESCCC(C(=O)NC1CCOC1c1ccc(Cl)c(F)c1)N(C)C
InChIInChI=1S/C16H22ClFN2O2/c1-4-14(20(2)3)16(21)19-13-7-8-22-15(13)10-5-6-11(17)12(18)9-10/h5-6,9,13-15H,4,7-8H2,1-3H3,(H,19,21)
InChIKeyWMSQHIFKAIWTNZ-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}pyrrolidin-2-one monohydrochloride
CID 66976296
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]acetamide;hydrochloride
CID 66975290
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-3-methoxypropanamide;hydrochloride
CID 66976631
2(3H)-Furanone, dihydro-5-(4-chlorophenyl)-3-((1-methylethyl)amino)-, hydrochloride
CID 3071820
5-(4-Chlorophenyl)-3-(propylamino)oxolan-2-one--hydrogen chloride (1/1)
CID 3071822
2-(4-chlorophenyl)-N-(2-oxo-2-(2-phenylmorpholino)ethyl)acetamide
CID 16894753
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 76149799
N-{[(R)-perhydro-2-furyl]methyl}(4-{[(p-chlorophenyl)methoxy]methyl}-1-piperidyl)acetamide
CID 96351810
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-4-methyloxane-4-carboxamide
CID 72009281
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75441925
(3S)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 96406951
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97201440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide (CID 75441957) is N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide is CCC(C(=O)NC1CCOC1c1ccc(Cl)c(F)c1)N(C)C.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide?
The InChIKey is WMSQHIFKAIWTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-4-14(20(2)3)16(21)19-13-7-8-22-15(13)10-5-6-11(17)12(18)9-10/h5-6,9,13-15H,4,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide?
N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide has a molecular weight of 328.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)oxolan-3-yl]-2-(dimethylamino)butanamide is sourced from PubChem (CID 75441957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).