2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide

C14H19BrN2O2 — CID 63098146

IUPAC2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCc1cc(NCC(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10-8-12(2-3-13(10)15)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyVMJJKNCVOKOPPY-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide

2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide (PubChem CID 63098146) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
PubChem CID63098146
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
SMILESCc1cc(NCC(=O)NC2CCOCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10-8-12(2-3-13(10)15)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyVMJJKNCVOKOPPY-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
2-(4-bromo-3-methylphenoxy)-N-(oxan-4-yl)acetamide
CID 81301243
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
N-cyclopentyl-2-(3-fluoro-4-methylanilino)acetamide
CID 28583319
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
2-(4-bromo-3-methylanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47107181
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
CID 104937840
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide (CID 63098146) is 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide is Cc1cc(NCC(=O)NC2CCOCC2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide?
The InChIKey is VMJJKNCVOKOPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-8-12(2-3-13(10)15)16-9-14(18)17-11-4-6-19-7-5-11/h2-3,8,11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide?
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).