N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide

C16H14BrCl2NO — CID 107993542

IUPACN-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14BrCl2NO/c17-14-10-13(6-7-15(14)19)16(21)20(9-8-18)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUXYILGYGQXFAOX-UHFFFAOYSA-N
MW387.10 g/mol
LogP4.98
Rot. Bonds5

About N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide

N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide (PubChem CID 107993542) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
PubChem CID107993542
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC NameN-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
SMILESO=C(c1ccc(Cl)c(Br)c1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14BrCl2NO/c17-14-10-13(6-7-15(14)19)16(21)20(9-8-18)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyUXYILGYGQXFAOX-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.10
LogP ≤ 54.98
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-3-bromo-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103844027
N-benzyl-5-bromo-N-(2-chloroethyl)thiophene-3-carboxamide
CID 107965830
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
3-bromo-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107999420
N-benzyl-N-(2-chloroethyl)-2-methylpyridine-4-carboxamide
CID 106754137
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-4-bromo-3-chloro-N-(cyanomethyl)benzamide
CID 80973098
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide?
The IUPAC name of N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide (CID 107993542) is N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide.
What is the SMILES notation for N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide?
The canonical SMILES for N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide is O=C(c1ccc(Cl)c(Br)c1)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide?
The InChIKey is UXYILGYGQXFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c17-14-10-13(6-7-15(14)19)16(21)20(9-8-18)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide?
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide has a molecular weight of 387.10 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide is sourced from PubChem (CID 107993542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).