2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide

C18H17BrClN3O2 — CID 166428507

IUPAC2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide
SMILESCC1(C)CN(c2ccccc2NC(=O)c2c(Cl)ccc(Br)c2N)C1=O
InChIInChI=1S/C18H17BrClN3O2/c1-18(2)9-23(17(18)25)13-6-4-3-5-12(13)22-16(24)14-11(20)8-7-10(19)15(14)21/h3-8H,9,21H2,1-2H3,(H,22,24)
InChIKeyNSGZBZKEPQJEST-UHFFFAOYSA-N
MW422.71 g/mol
LogP4.31
Rot. Bonds3

About 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide

2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide (PubChem CID 166428507) has the molecular formula C18H17BrClN3O2 and a molecular weight of 422.71 g/mol. Its IUPAC name is 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide
PubChem CID166428507
Molecular FormulaC18H17BrClN3O2
Molecular Weight422.71 g/mol
Exact Mass421.02
IUPAC Name2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide
SMILESCC1(C)CN(c2ccccc2NC(=O)c2c(Cl)ccc(Br)c2N)C1=O
InChIInChI=1S/C18H17BrClN3O2/c1-18(2)9-23(17(18)25)13-6-4-3-5-12(13)22-16(24)14-11(20)8-7-10(19)15(14)21/h3-8H,9,21H2,1-2H3,(H,22,24)
InChIKeyNSGZBZKEPQJEST-UHFFFAOYSA-N
XLogP4.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.71
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132992182
3-bromo-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 166428996
1-[2-(4-bromo-7-hydroxy-3,3-dimethyl-2H-indol-1-yl)phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea
CID 90034692
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide (CID 166428507) is 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide is CC1(C)CN(c2ccccc2NC(=O)c2c(Cl)ccc(Br)c2N)C1=O.
What is the InChIKey of 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide?
The InChIKey is NSGZBZKEPQJEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClN3O2/c1-18(2)9-23(17(18)25)13-6-4-3-5-12(13)22-16(24)14-11(20)8-7-10(19)15(14)21/h3-8H,9,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide?
2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide has a molecular weight of 422.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-6-chloro-N-[2-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 166428507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).