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

C19H21BrN2O4 — CID 46486629

IUPACN-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C19H21BrN2O4/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPYDBDODQZIQDNU-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.61
Rot. Bonds7

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

N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 46486629) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID46486629
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC NameN-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C19H21BrN2O4/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPYDBDODQZIQDNU-UHFFFAOYSA-N
XLogP3.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
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
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120507137
(2-amino-2-oxoethyl) 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55308946
2-methoxyethyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 55453302
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 46486629) is N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is PYDBDODQZIQDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-12(2)21-18(23)11-26-16-9-4-13(10-17(16)25-3)19(24)22-15-7-5-14(20)6-8-15/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 46486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).