N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide

C21H25BrN2O4 — CID 26071019

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1OCC
InChIInChI=1S/C21H25BrN2O4/c1-4-10-28-18-9-6-15(12-19(18)27-5-2)21(26)23-13-20(25)24-17-8-7-16(22)11-14(17)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySHJGZWYXGGIWGX-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.31
Rot. Bonds9

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide (PubChem CID 26071019) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
PubChem CID26071019
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1OCC
InChIInChI=1S/C21H25BrN2O4/c1-4-10-28-18-9-6-15(12-19(18)27-5-2)21(26)23-13-20(25)24-17-8-7-16(22)11-14(17)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeySHJGZWYXGGIWGX-UHFFFAOYSA-N
XLogP4.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 27761573
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
N-[3-(4-bromoanilino)-3-oxopropyl]-3-ethoxy-4-propoxybenzamide
CID 55952088
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 26712804
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
N-(4-fluoro-2-methylphenyl)-3,4-dipropoxybenzamide
CID 8639946
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide (CID 26071019) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide is CCCOc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1OCC.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide?
The InChIKey is SHJGZWYXGGIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-4-10-28-18-9-6-15(12-19(18)27-5-2)21(26)23-13-20(25)24-17-8-7-16(22)11-14(17)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide has a molecular weight of 449.35 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide is sourced from PubChem (CID 26071019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).