4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide

C19H21BrN2O5 — CID 24517297

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2ccc(OCC(N)=O)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-25-16-9-13(15(20)10-17(16)26-2)7-8-22-19(24)12-3-5-14(6-4-12)27-11-18(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyJZFZAUIMQFIANK-UHFFFAOYSA-N
MW437.29 g/mol
LogP2.30
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide (PubChem CID 24517297) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
PubChem CID24517297
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(Br)c(CCNC(=O)c2ccc(OCC(N)=O)cc2)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-25-16-9-13(15(20)10-17(16)26-2)7-8-22-19(24)12-3-5-14(6-4-12)27-11-18(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeyJZFZAUIMQFIANK-UHFFFAOYSA-N
XLogP2.30
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24551293
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3,5-difluorobenzamide
CID 9247147
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
CID 24550092
2-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093
3,4-dimethoxy-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096442
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 32623799

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide (CID 24517297) is 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide is COc1cc(Br)c(CCNC(=O)c2ccc(OCC(N)=O)cc2)cc1OC.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is JZFZAUIMQFIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-25-16-9-13(15(20)10-17(16)26-2)7-8-22-19(24)12-3-5-14(6-4-12)27-11-18(21)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 437.29 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 24517297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).