4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide

C12H16BrNO3 — CID 115409622

IUPAC4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16BrNO3/c1-8(2)7-17-14-12(15)10-5-4-9(13)6-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQFQIIKCCUOBWDP-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.78
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide

4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide (PubChem CID 115409622) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
PubChem CID115409622
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
SMILESCOc1cc(Br)ccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16BrNO3/c1-8(2)7-17-14-12(15)10-5-4-9(13)6-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyQFQIIKCCUOBWDP-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
[(4-bromo-2-methoxybenzoyl)amino]urea
CID 115370230
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide (CID 115409622) is 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide is COc1cc(Br)ccc1C(=O)NOCC(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide?
The InChIKey is QFQIIKCCUOBWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-8(2)7-17-14-12(15)10-5-4-9(13)6-11(10)16-3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide?
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide has a molecular weight of 302.17 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 115409622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).