5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide

C18H18BrNO4 — CID 58592500

IUPAC5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)cc1
InChIInChI=1S/C18H18BrNO4/c1-20(9-10-21)18(23)16-11-13(19)5-8-15(16)17(22)12-3-6-14(24-2)7-4-12/h3-8,11,21H,9-10H2,1-2H3
InChIKeyJNNNAMXWTHMHQC-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.75
Rot. Bonds6

About 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide

5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide (PubChem CID 58592500) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide
PubChem CID58592500
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)cc1
InChIInChI=1S/C18H18BrNO4/c1-20(9-10-21)18(23)16-11-13(19)5-8-15(16)17(22)12-3-6-14(24-2)7-4-12/h3-8,11,21H,9-10H2,1-2H3
InChIKeyJNNNAMXWTHMHQC-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-hydroxyethyl)-2-(3-methoxy-2-methylbenzoyl)-N-methylbenzamide
CID 69359928
2-benzoyl-4-bromo-N-(2-hydroxyethyl)-N-methylbenzamide;[5-bromo-2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]-phenylmethanone
CID 158056558
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
4-bromo-2-(4-methoxybenzoyl)benzonitrile
CID 121004784
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[2-bromo-4-(diethylamino)phenyl]-(4-methoxyphenyl)methanone
CID 23343332
6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide (CID 58592500) is 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide is COc1ccc(C(=O)c2ccc(Br)cc2C(=O)N(C)CCO)cc1.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide?
The InChIKey is JNNNAMXWTHMHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-20(9-10-21)18(23)16-11-13(19)5-8-15(16)17(22)12-3-6-14(24-2)7-4-12/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide?
5-bromo-N-(2-hydroxyethyl)-2-(4-methoxybenzoyl)-N-methylbenzamide has a molecular weight of 392.25 g/mol, XLogP of 2.75, 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-(4-methoxybenzoyl)-N-methylbenzamide is sourced from PubChem (CID 58592500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).