2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide

C17H23ClF2N2O3 — CID 91784481

IUPAC2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(F)ccc(Cl)c1F
InChIInChI=1S/C17H23ClF2N2O3/c1-22(2)6-8-25-15-10-24-7-5-14(15)21-16(23)9-11-13(19)4-3-12(18)17(11)20/h3-4,14-15H,5-10H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyATOGAJZLTJRIBJ-HUUCEWRRSA-N
MW376.83 g/mol
LogP2.01
Rot. Bonds7

About 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide

2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide (PubChem CID 91784481) has the molecular formula C17H23ClF2N2O3 and a molecular weight of 376.83 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
PubChem CID91784481
Molecular FormulaC17H23ClF2N2O3
Molecular Weight376.83 g/mol
Exact Mass376.14
IUPAC Name2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(F)ccc(Cl)c1F
InChIInChI=1S/C17H23ClF2N2O3/c1-22(2)6-8-25-15-10-24-7-5-14(15)21-16(23)9-11-13(19)4-3-12(18)17(11)20/h3-4,14-15H,5-10H2,1-2H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyATOGAJZLTJRIBJ-HUUCEWRRSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
CID 91788646
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 91762804
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 91761241
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
2-(4-chlorophenyl)sulfanyl-N-[3-(cyclopropylmethoxy)oxan-4-yl]acetamide
CID 156608390

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide?
The IUPAC name of 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide (CID 91784481) is 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide.
What is the SMILES notation for 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide?
The canonical SMILES for 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)Cc1c(F)ccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide?
The InChIKey is ATOGAJZLTJRIBJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23ClF2N2O3/c1-22(2)6-8-25-15-10-24-7-5-14(15)21-16(23)9-11-13(19)4-3-12(18)17(11)20/h3-4,14-15H,5-10H2,1-2H3,(H,21,23)/t14-,15-/m1/s1.
What are the key properties of 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide?
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide has a molecular weight of 376.83 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide is sourced from PubChem (CID 91784481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).