N-benzyl-3,5-dibromo-N-propylbenzamide

C17H17Br2NO — CID 107980144

IUPACN-benzyl-3,5-dibromo-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H17Br2NO/c1-2-8-20(12-13-6-4-3-5-7-13)17(21)14-9-15(18)11-16(19)10-14/h3-7,9-11H,2,8,12H2,1H3
InChIKeyHDFZETHHTOSHRU-UHFFFAOYSA-N
MW411.14 g/mol
LogP5.26
Rot. Bonds5

About N-benzyl-3,5-dibromo-N-propylbenzamide

N-benzyl-3,5-dibromo-N-propylbenzamide (PubChem CID 107980144) has the molecular formula C17H17Br2NO and a molecular weight of 411.14 g/mol. Its IUPAC name is N-benzyl-3,5-dibromo-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-3,5-dibromo-N-propylbenzamide
PubChem CID107980144
Molecular FormulaC17H17Br2NO
Molecular Weight411.14 g/mol
Exact Mass408.97
IUPAC NameN-benzyl-3,5-dibromo-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C17H17Br2NO/c1-2-8-20(12-13-6-4-3-5-7-13)17(21)14-9-15(18)11-16(19)10-14/h3-7,9-11H,2,8,12H2,1H3
InChIKeyHDFZETHHTOSHRU-UHFFFAOYSA-N
XLogP5.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.14
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-benzyl-3,5-dibromo-N-(cyanomethyl)benzamide
CID 103908093
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
3,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 107974886
N-benzyl-4-(methylsulfonylmethyl)-N-propylbenzamide
CID 78781600
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 91500084
N-benzyl-4-propan-2-ylsulfonyl-N-propylbenzamide
CID 55754629
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dibromo-N-propylbenzamide?
The IUPAC name of N-benzyl-3,5-dibromo-N-propylbenzamide (CID 107980144) is N-benzyl-3,5-dibromo-N-propylbenzamide.
What is the SMILES notation for N-benzyl-3,5-dibromo-N-propylbenzamide?
The canonical SMILES for N-benzyl-3,5-dibromo-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-benzyl-3,5-dibromo-N-propylbenzamide?
The InChIKey is HDFZETHHTOSHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO/c1-2-8-20(12-13-6-4-3-5-7-13)17(21)14-9-15(18)11-16(19)10-14/h3-7,9-11H,2,8,12H2,1H3.
What are the key properties of N-benzyl-3,5-dibromo-N-propylbenzamide?
N-benzyl-3,5-dibromo-N-propylbenzamide has a molecular weight of 411.14 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dibromo-N-propylbenzamide is sourced from PubChem (CID 107980144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).