5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide

C13H15BrClNO2 — CID 115759553

IUPAC5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2Cl)CCOCC1
InChIInChI=1S/C13H15BrClNO2/c1-13(4-6-18-7-5-13)16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyMWTKZSRUUKRCTG-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.40
Rot. Bonds2

About 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide

5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide (PubChem CID 115759553) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
PubChem CID115759553
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2cc(Br)ccc2Cl)CCOCC1
InChIInChI=1S/C13H15BrClNO2/c1-13(4-6-18-7-5-13)16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyMWTKZSRUUKRCTG-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2,5-dibromo-N-(3-methyloxolan-3-yl)benzamide
CID 114372910
5-bromo-2-chloro-N-[(2R,3S)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679724
5-bromo-2-chloro-N-[(2R,3R)-2,3-dimethyloxolan-3-yl]benzamide
CID 124679722
4-chloro-2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 115761034
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzamide
CID 113322134
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide (CID 115759553) is 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2cc(Br)ccc2Cl)CCOCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide?
The InChIKey is MWTKZSRUUKRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-13(4-6-18-7-5-13)16-12(17)10-8-9(14)2-3-11(10)15/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide?
5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide has a molecular weight of 332.63 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 115759553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).