2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

C17H17Br2NO — CID 107952088

IUPAC2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C17H17Br2NO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)15-8-7-14(18)10-16(15)19/h4-10H,3,11H2,1-2H3
InChIKeyORNVHOBAVRDYEH-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.18
Rot. Bonds4

About 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide

2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 107952088) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID107952088
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC Name2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C17H17Br2NO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)15-8-7-14(18)10-16(15)19/h4-10H,3,11H2,1-2H3
InChIKeyORNVHOBAVRDYEH-UHFFFAOYSA-N
XLogP5.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
2-amino-6-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 63658797
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (CID 107952088) is 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is CCN(Cc1cccc(C)c1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is ORNVHOBAVRDYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-3-20(11-13-6-4-5-12(2)9-13)17(21)15-8-7-14(18)10-16(15)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 411.14 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 107952088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).