N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide

C17H17BrClNO — CID 65309508

IUPACN-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C17H17BrClNO/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeySLYJUKKOGSUCKA-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.64
Rot. Bonds5

About N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide

N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide (PubChem CID 65309508) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
PubChem CID65309508
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(CCCl)Cc1ccccc1
InChIInChI=1S/C17H17BrClNO/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
InChIKeySLYJUKKOGSUCKA-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
N-benzyl-N-(2-bromoethyl)-5-chloro-2-methylbenzamide
CID 82875926
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-benzyl-5-bromo-N-(2-chloroethyl)thiophene-3-carboxamide
CID 107965830
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
5-bromo-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 65311466
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966
N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The IUPAC name of N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide (CID 65309508) is N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide.
What is the SMILES notation for N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The canonical SMILES for N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide?
The InChIKey is SLYJUKKOGSUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-13-7-8-15(18)11-16(13)17(21)20(10-9-19)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide?
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide has a molecular weight of 366.69 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide is sourced from PubChem (CID 65309508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).