4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide

C15H22BrNO2 — CID 78987573

IUPAC4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-10(2)9-17(11(3)4)15(18)13-7-6-12(16)8-14(13)19-5/h6-8,10-11H,9H2,1-5H3
InChIKeyQCGGWSCLNPACAS-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.96
Rot. Bonds5

About 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide

4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide (PubChem CID 78987573) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
PubChem CID78987573
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)ccc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C15H22BrNO2/c1-10(2)9-17(11(3)4)15(18)13-7-6-12(16)8-14(13)19-5/h6-8,10-11H,9H2,1-5H3
InChIKeyQCGGWSCLNPACAS-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3-hydroxypropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 115369231
4-bromo-N-(cyanomethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 80548287
4-bromo-2-methoxy-N-(2-methylpropoxy)benzamide
CID 115409622
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
4-bromo-N,N-bis(cyanomethyl)-2-methoxybenzamide
CID 113296051
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-2-methoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906384
4-[(4-bromo-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 113295975
4-bromo-N-(2-bromo-4-methylpentyl)-2-methoxybenzamide
CID 107157714
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide (CID 78987573) is 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide is COc1cc(Br)ccc1C(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
The InChIKey is QCGGWSCLNPACAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10(2)9-17(11(3)4)15(18)13-7-6-12(16)8-14(13)19-5/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide?
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide has a molecular weight of 328.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 78987573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).