N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide

C16H16BrFN2O — CID 107603351

IUPACN-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-10-19-12-8-6-11(7-9-12)16(21)20-15-13(17)4-3-5-14(15)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyAQMOJBIFKROZEZ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.66
Rot. Bonds5

About N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide

N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide (PubChem CID 107603351) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
PubChem CID107603351
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-10-19-12-8-6-11(7-9-12)16(21)20-15-13(17)4-3-5-14(15)18/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyAQMOJBIFKROZEZ-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-(2,6-dimethylphenyl)-4-(propylamino)benzamide
CID 62166423
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(2-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194
4-amino-N-(2-bromo-6-fluorophenyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 107605084
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide (CID 107603351) is N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2c(F)cccc2Br)cc1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide?
The InChIKey is AQMOJBIFKROZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-10-19-12-8-6-11(7-9-12)16(21)20-15-13(17)4-3-5-14(15)18/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide?
N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide has a molecular weight of 351.22 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-4-(propylamino)benzamide is sourced from PubChem (CID 107603351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).