N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide

C16H14Br2ClNO — CID 114375585

IUPACN-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Br)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14Br2ClNO/c17-13-6-7-15(18)14(10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyHVPAFVYMXVSWRC-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.09
Rot. Bonds5

About N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide

N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide (PubChem CID 114375585) has the molecular formula C16H14Br2ClNO and a molecular weight of 431.56 g/mol. Its IUPAC name is N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
PubChem CID114375585
Molecular FormulaC16H14Br2ClNO
Molecular Weight431.56 g/mol
Exact Mass428.91
IUPAC NameN-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
SMILESO=C(c1cc(Br)ccc1Br)N(CCCl)Cc1ccccc1
InChIInChI=1S/C16H14Br2ClNO/c17-13-6-7-15(18)14(10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyHVPAFVYMXVSWRC-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.09
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-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-benzyl-5-chloro-N-(2-chloroethyl)furan-2-carboxamide
CID 106689849
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425
N-benzyl-3-bromo-4-chloro-N-(2-chloroethyl)benzamide
CID 107993542
N-benzyl-4,5-dibromo-N-(2-chloroethyl)thiophene-2-carboxamide
CID 80538131
N-benzyl-5-bromo-N-(2-chloroethyl)thiophene-3-carboxamide
CID 107965830
N-benzyl-2-chloro-N-(2-chloroethyl)-4-fluorobenzamide
CID 63390884
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-benzyl-N-(2-chloroethyl)-2-fluoro-4-hydroxybenzamide
CID 107677531
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide?
The IUPAC name of N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide (CID 114375585) is N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide.
What is the SMILES notation for N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide?
The canonical SMILES for N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide is O=C(c1cc(Br)ccc1Br)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide?
The InChIKey is HVPAFVYMXVSWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClNO/c17-13-6-7-15(18)14(10-13)16(21)20(9-8-19)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide?
N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide is sourced from PubChem (CID 114375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).