5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide

C19H20BrNO4 — CID 69359928

IUPAC5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)c1C
InChIInChI=1S/C19H20BrNO4/c1-12-14(5-4-6-17(12)25-3)18(23)15-8-7-13(20)11-16(15)19(24)21(2)9-10-22/h4-8,11,22H,9-10H2,1-3H3
InChIKeyJSXKTOMGGJTPBA-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.06
Rot. Bonds6

About 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide

5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide (PubChem CID 69359928) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide
PubChem CID69359928
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide
SMILESCOc1cccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)c1C
InChIInChI=1S/C19H20BrNO4/c1-12-14(5-4-6-17(12)25-3)18(23)15-8-7-13(20)11-16(15)19(24)21(2)9-10-22/h4-8,11,22H,9-10H2,1-3H3
InChIKeyJSXKTOMGGJTPBA-UHFFFAOYSA-N
XLogP3.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide
CID 58592500
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855
2-benzoyl-4-bromo-N-(2-hydroxyethyl)-N-methylbenzamide;[5-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-phenylmethanone
CID 158056558
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide (CID 69359928) is 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide is COc1cccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)c1C.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide?
The InChIKey is JSXKTOMGGJTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-12-14(5-4-6-17(12)25-3)18(23)15-8-7-13(20)11-16(15)19(24)21(2)9-10-22/h4-8,11,22H,9-10H2,1-3H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide?
5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide has a molecular weight of 406.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide is sourced from PubChem (CID 69359928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).