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

C14H19BrN2O2 — CID 63727084

IUPAC3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O2/c1-17(8-10-3-2-6-19-9-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyFFOWIJLIMQSJRH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.53
Rot. Bonds3

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

3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 63727084) 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-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID63727084
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCN(CC1CCCOC1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C14H19BrN2O2/c1-17(8-10-3-2-6-19-9-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9,16H2,1H3
InChIKeyFFOWIJLIMQSJRH-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-4-ylmethyl)benzamide
CID 63725709
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
N-methyl-N-(oxan-3-ylmethyl)-4-sulfanylbenzamide
CID 107030003
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
3-chloro-4-hydroxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63706362
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
3-bromo-5-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 103826926
3-hydroxy-4-methoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79673553
3-bromo-N-methyl-N-(oxan-3-ylmethyl)thiophene-2-carboxamide
CID 63717719
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide (CID 63727084) is 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide is CN(CC1CCCOC1)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is FFOWIJLIMQSJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(8-10-3-2-6-19-9-10)14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9,16H2,1H3.
What are the key properties of 3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide?
3-amino-4-bromo-N-methyl-N-(oxan-3-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-3-ylmethyl)benzamide is sourced from PubChem (CID 63727084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).