5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

C19H21BrN2O3 — CID 112790012

IUPAC5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-3-10-22(19(25)15-11-14(20)8-9-17(15)23)12-18(24)21-16-7-5-4-6-13(16)2/h4-9,11,23H,3,10,12H2,1-2H3,(H,21,24)
InChIKeyOZSFFQICOWUWBE-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.95
Rot. Bonds6

About 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 112790012) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID112790012
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O3/c1-3-10-22(19(25)15-11-14(20)8-9-17(15)23)12-18(24)21-16-7-5-4-6-13(16)2/h4-9,11,23H,3,10,12H2,1-2H3,(H,21,24)
InChIKeyOZSFFQICOWUWBE-UHFFFAOYSA-N
XLogP3.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylcyclopropane-1-carboxamide
CID 42990004
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (CID 112790012) is 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is OZSFFQICOWUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-10-22(19(25)15-11-14(20)8-9-17(15)23)12-18(24)21-16-7-5-4-6-13(16)2/h4-9,11,23H,3,10,12H2,1-2H3,(H,21,24).
What are the key properties of 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 112790012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).