5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide

C17H17BrClNO3 — CID 17357254

IUPAC5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17BrClNO3/c1-11-3-5-13(10-15(11)19)20-17(21)14-9-12(18)4-6-16(14)23-8-7-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyRKRZQBMWUUDECR-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.69
Rot. Bonds6

About 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide

5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide (PubChem CID 17357254) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
PubChem CID17357254
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H17BrClNO3/c1-11-3-5-13(10-15(11)19)20-17(21)14-9-12(18)4-6-16(14)23-8-7-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyRKRZQBMWUUDECR-UHFFFAOYSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3-chloro-4-methylphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357551
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097726

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide (CID 17357254) is 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
The InChIKey is RKRZQBMWUUDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-11-3-5-13(10-15(11)19)20-17(21)14-9-12(18)4-6-16(14)23-8-7-22-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide?
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide has a molecular weight of 398.68 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).