3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide

C18H19BrN2O4 — CID 24673626

IUPAC3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1Br
InChIInChI=1S/C18H19BrN2O4/c1-11-4-6-16(25-3)14(8-11)21-17(22)10-20-18(23)12-5-7-15(24-2)13(19)9-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOQPRBHAJGWZLJB-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.14
Rot. Bonds6

About 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide

3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide (PubChem CID 24673626) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
PubChem CID24673626
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1Br
InChIInChI=1S/C18H19BrN2O4/c1-11-4-6-16(25-3)14(8-11)21-17(22)10-20-18(23)12-5-7-15(24-2)13(19)9-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOQPRBHAJGWZLJB-UHFFFAOYSA-N
XLogP3.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 46551015
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide (CID 24673626) is 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)Nc2cc(C)ccc2OC)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is OQPRBHAJGWZLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-11-4-6-16(25-3)14(8-11)21-17(22)10-20-18(23)12-5-7-15(24-2)13(19)9-12/h4-9H,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide?
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 407.26 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 24673626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).