3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide

C14H17BrClNO2 — CID 103826926

IUPAC3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9H2,1H3
InChIKeyGYTIFHYKRRNYLX-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.60
Rot. Bonds3

About 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide

3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 103826926) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID103826926
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC Name3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9H2,1H3
InChIKeyGYTIFHYKRRNYLX-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
6-chloro-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63711414
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
3-bromo-5-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 102822998
5-iodo-N-methyl-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 78950078
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 103826926) is 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is GYTIFHYKRRNYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c1-17(8-10-3-2-4-19-9-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 103826926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).