N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide

C16H16BrFN2O — CID 104781544

IUPACN-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-9-19-12-5-3-11(4-6-12)16(21)20-13-7-8-15(18)14(17)10-13/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyANAKQPDKXUIKNT-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.66
Rot. Bonds5

About N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide

N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide (PubChem CID 104781544) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
PubChem CID104781544
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-9-19-12-5-3-11(4-6-12)16(21)20-13-7-8-15(18)14(17)10-13/h3-8,10,19H,2,9H2,1H3,(H,20,21)
InChIKeyANAKQPDKXUIKNT-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

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CID 104776158
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N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
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N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
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CID 104778142
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
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3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
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CID 113342873

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide (CID 104781544) is N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide is CCCNc1ccc(C(=O)Nc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide?
The InChIKey is ANAKQPDKXUIKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-9-19-12-5-3-11(4-6-12)16(21)20-13-7-8-15(18)14(17)10-13/h3-8,10,19H,2,9H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide?
N-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide is sourced from PubChem (CID 104781544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).