N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide

C18H19BrN2O3 — CID 17439988

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12-9-15(19)7-8-16(12)21-17(22)10-20-18(23)14-5-3-13(4-6-14)11-24-2/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFHNVAXOEUVEGQN-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide (PubChem CID 17439988) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
PubChem CID17439988
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12-9-15(19)7-8-16(12)21-17(22)10-20-18(23)14-5-3-13(4-6-14)11-24-2/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyFHNVAXOEUVEGQN-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27781558
4-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 51175467
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide
CID 26071019
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
CID 27781318
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
CID 30867221
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 46682517
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide (CID 17439988) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide?
The InChIKey is FHNVAXOEUVEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-9-15(19)7-8-16(12)21-17(22)10-20-18(23)14-5-3-13(4-6-14)11-24-2/h3-9H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 17439988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).