(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide

C19H28BClFNO5 — CID 177297222

IUPAC(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCOCC(C(N)=O)[C@@H](CCOc1ccc(Cl)cc1F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H28BClFNO5/c1-18(2)19(3,4)28-20(27-18)14(13(11-25-5)17(23)24)8-9-26-16-7-6-12(21)10-15(16)22/h6-7,10,13-14H,8-9,11H2,1-5H3,(H2,23,24)/t13?,14-/m1/s1
InChIKeyPUJSGWTVZXWRLT-ARLHGKGLSA-N
MW415.70 g/mol
LogP3.46
Rot. Bonds9

About (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide

(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (PubChem CID 177297222) has the molecular formula C19H28BClFNO5 and a molecular weight of 415.70 g/mol. Its IUPAC name is (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.

Molecular Properties

Compound Name(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
PubChem CID177297222
Molecular FormulaC19H28BClFNO5
Molecular Weight415.70 g/mol
Exact Mass415.17
IUPAC Name(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
SMILESCOCC(C(N)=O)[C@@H](CCOc1ccc(Cl)cc1F)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H28BClFNO5/c1-18(2)19(3,4)28-20(27-18)14(13(11-25-5)17(23)24)8-9-26-16-7-6-12(21)10-15(16)22/h6-7,10,13-14H,8-9,11H2,1-5H3,(H2,23,24)/t13?,14-/m1/s1
InChIKeyPUJSGWTVZXWRLT-ARLHGKGLSA-N
XLogP3.46
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide 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

(3R)-5-(4-chloro-2-methylphenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide
CID 177297200
(3R)-5-(4-chloro-3-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide;hydrochloride
CID 177297169
(2R)-2-amino-N-[(1S)-3-(4-chloro-2-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 168920120
2-amino-N-[(1R)-3-(4-chloro-3-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174052182
2-(4-chloro-2-fluorophenoxy)ethyl N-methylcarbamate
CID 146277435
2-amino-4-(2,4-difluorophenoxy)butanamide
CID 63038942
2-amino-N-[3-(4-fluorophenoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 174051436
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
(2R)-2-amino-N-[(1R)-4-(3-chlorophenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-3-methoxypropanamide
CID 168920131
ethyl 3-(2-bromo-5-chlorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816984
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
2,5-dichloro-N-[3-methoxy-1-oxo-1-[[4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]amino]propan-2-yl]benzamide
CID 174052256

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The IUPAC name of (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide (CID 177297222) is (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide.
What is the SMILES notation for (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The canonical SMILES for (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is COCC(C(N)=O)[C@@H](CCOc1ccc(Cl)cc1F)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
The InChIKey is PUJSGWTVZXWRLT-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H28BClFNO5/c1-18(2)19(3,4)28-20(27-18)14(13(11-25-5)17(23)24)8-9-26-16-7-6-12(21)10-15(16)22/h6-7,10,13-14H,8-9,11H2,1-5H3,(H2,23,24)/t13?,14-/m1/s1.
What are the key properties of (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide?
(3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide has a molecular weight of 415.70 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(4-chloro-2-fluorophenoxy)-2-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentanamide is sourced from PubChem (CID 177297222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).