5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

C15H13BrCl2N2O — CID 115297266

IUPAC5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)ccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8(9-2-5-13(17)14(18)6-9)20-15(21)11-7-10(19)3-4-12(11)16/h2-8H,19H2,1H3,(H,20,21)
InChIKeyZHMIXNUZCCLIIJ-UHFFFAOYSA-N
MW388.09 g/mol
LogP4.83
Rot. Bonds3

About 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide

5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (PubChem CID 115297266) has the molecular formula C15H13BrCl2N2O and a molecular weight of 388.09 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
PubChem CID115297266
Molecular FormulaC15H13BrCl2N2O
Molecular Weight388.09 g/mol
Exact Mass385.96
IUPAC Name5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)ccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2N2O/c1-8(9-2-5-13(17)14(18)6-9)20-15(21)11-7-10(19)3-4-12(11)16/h2-8H,19H2,1H3,(H,20,21)
InChIKeyZHMIXNUZCCLIIJ-UHFFFAOYSA-N
XLogP4.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.09
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60629480
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
5-amino-2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119905
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide (CID 115297266) is 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is CC(NC(=O)c1cc(N)ccc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
The InChIKey is ZHMIXNUZCCLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O/c1-8(9-2-5-13(17)14(18)6-9)20-15(21)11-7-10(19)3-4-12(11)16/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide?
5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide has a molecular weight of 388.09 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide is sourced from PubChem (CID 115297266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).