3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H19BrN2O2 — CID 63725709

IUPAC3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyZOBQIGCWAHCYQQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide

3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63725709) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID63725709
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9,16H2,1H3
InChIKeyZOBQIGCWAHCYQQ-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
6-amino-N-methyl-N-(oxan-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103543140
4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
CID 63632321
3-amino-N-(cyclopentylmethyl)-N-methyl-4-nitrobenzamide
CID 63656778
2-bromo-N-methyl-5-nitro-N-(oxan-4-ylmethyl)benzamide
CID 63712474

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 63725709) is 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is ZOBQIGCWAHCYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(9-10-4-6-19-7-5-10)14(18)11-2-3-12(15)13(16)8-11/h2-3,8,10H,4-7,9,16H2,1H3.
What are the key properties of 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63725709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).