N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide

C16H16BrClN2O — CID 81280415

IUPACN-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-2-9-19-14-6-4-3-5-12(14)16(21)20-15-10-11(18)7-8-13(15)17/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyONJQFTRJJUKSEK-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.18
Rot. Bonds5

About N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide

N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide (PubChem CID 81280415) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
PubChem CID81280415
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-2-9-19-14-6-4-3-5-12(14)16(21)20-15-10-11(18)7-8-13(15)17/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyONJQFTRJJUKSEK-UHFFFAOYSA-N
XLogP5.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150
N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
CID 107033062
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75499293
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide (CID 81280415) is N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide?
The InChIKey is ONJQFTRJJUKSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-2-9-19-14-6-4-3-5-12(14)16(21)20-15-10-11(18)7-8-13(15)17/h3-8,10,19H,2,9H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide?
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide has a molecular weight of 367.67 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide is sourced from PubChem (CID 81280415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).