N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide

C19H22BrNO4 — CID 19170128

IUPACN-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C(C)C)c(OC)cc1Br
InChIInChI=1S/C19H22BrNO4/c1-12(2)13-7-5-6-8-16(13)25-11-19(22)21-15-10-17(23-3)14(20)9-18(15)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyBPVSWOVUXKIEAG-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.61
Rot. Bonds7

About N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 19170128) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID19170128
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC NameN-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(NC(=O)COc2ccccc2C(C)C)c(OC)cc1Br
InChIInChI=1S/C19H22BrNO4/c1-12(2)13-7-5-6-8-16(13)25-11-19(22)21-15-10-17(23-3)14(20)9-18(15)24-4/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyBPVSWOVUXKIEAG-UHFFFAOYSA-N
XLogP4.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide 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

N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 54852575
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 19170128) is N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide is COc1cc(NC(=O)COc2ccccc2C(C)C)c(OC)cc1Br.
What is the InChIKey of N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is BPVSWOVUXKIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-12(2)13-7-5-6-8-16(13)25-11-19(22)21-15-10-17(23-3)14(20)9-18(15)24-4/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 408.29 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19170128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).