N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C20H23BrN2O4 — CID 55770873

IUPACN-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H23BrN2O4/c1-12(2)22-19(24)11-27-17-8-5-14(10-18(17)26-4)20(25)23-16-7-6-15(21)9-13(16)3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZCUIKUMYKJWQDJ-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.92
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 55770873) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID55770873
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C20H23BrN2O4/c1-12(2)22-19(24)11-27-17-8-5-14(10-18(17)26-4)20(25)23-16-7-6-15(21)9-13(16)3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyZCUIKUMYKJWQDJ-UHFFFAOYSA-N
XLogP3.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945160
N-(2-butoxy-5-methoxyphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55777600
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-methyl-N-propan-2-ylbenzamide
CID 55988825
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501258
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 55770873) is N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is ZCUIKUMYKJWQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-12(2)22-19(24)11-27-17-8-5-14(10-18(17)26-4)20(25)23-16-7-6-15(21)9-13(16)3/h5-10,12H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 435.32 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 55770873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).