N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C19H20BClFNO3 — CID 169074886

IUPACN-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(F)c(C(=O)Nc3cccc(Cl)c3)c2)OC1(C)C
InChIInChI=1S/C19H20BClFNO3/c1-18(2)19(3,4)26-20(25-18)12-8-9-16(22)15(10-12)17(24)23-14-7-5-6-13(21)11-14/h5-11H,1-4H3,(H,23,24)
InChIKeyJFVFUIOXSHWIGM-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.03
Rot. Bonds3

About N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 169074886) has the molecular formula C19H20BClFNO3 and a molecular weight of 375.64 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID169074886
Molecular FormulaC19H20BClFNO3
Molecular Weight375.64 g/mol
Exact Mass375.12
IUPAC NameN-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC1(C)OB(c2ccc(F)c(C(=O)Nc3cccc(Cl)c3)c2)OC1(C)C
InChIInChI=1S/C19H20BClFNO3/c1-18(2)19(3,4)26-20(25-18)12-8-9-16(22)15(10-12)17(24)23-14-7-5-6-13(21)11-14/h5-11H,1-4H3,(H,23,24)
InChIKeyJFVFUIOXSHWIGM-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide 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

N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-cyclopropyl-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164513669
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 131734605
1-(5-chloro-2-methoxyphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 56776853
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
N-(4-methylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 140776472
N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 57415689
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]hydroxylamine
CID 59321108
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butanamide
CID 177477440
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 169074886) is N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC1(C)OB(c2ccc(F)c(C(=O)Nc3cccc(Cl)c3)c2)OC1(C)C.
What is the InChIKey of N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is JFVFUIOXSHWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BClFNO3/c1-18(2)19(3,4)26-20(25-18)12-8-9-16(22)15(10-12)17(24)23-14-7-5-6-13(21)11-14/h5-11H,1-4H3,(H,23,24).
What are the key properties of N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 375.64 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 169074886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).