5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide

C16H13BrCl2N2O2 — CID 55659264

IUPAC5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13BrCl2N2O2/c17-10-5-6-14(19)12(9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyKEJRKJLKPQHTTR-UHFFFAOYSA-N
MW416.10 g/mol
LogP3.92
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide

5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide (PubChem CID 55659264) has the molecular formula C16H13BrCl2N2O2 and a molecular weight of 416.10 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
PubChem CID55659264
Molecular FormulaC16H13BrCl2N2O2
Molecular Weight416.10 g/mol
Exact Mass413.95
IUPAC Name5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C16H13BrCl2N2O2/c17-10-5-6-14(19)12(9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23)
InChIKeyKEJRKJLKPQHTTR-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.10
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
7-[(5-bromo-2-chlorobenzoyl)amino]heptanoic acid
CID 43240050
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide (CID 55659264) is 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide is O=C(NCCNC(=O)c1cc(Br)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
The InChIKey is KEJRKJLKPQHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O2/c17-10-5-6-14(19)12(9-10)16(23)21-8-7-20-15(22)11-3-1-2-4-13(11)18/h1-6,9H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide?
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide has a molecular weight of 416.10 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 55659264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).