N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide

C15H14BrFN2O — CID 104779865

IUPACN-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-2-18-14-6-4-3-5-11(14)15(20)19-10-7-8-13(17)12(16)9-10/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXAUKCLWJXHRIP-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.27
Rot. Bonds4

About N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide

N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide (PubChem CID 104779865) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
PubChem CID104779865
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrFN2O/c1-2-18-14-6-4-3-5-11(14)15(20)19-10-7-8-13(17)12(16)9-10/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXAUKCLWJXHRIP-UHFFFAOYSA-N
XLogP4.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-hydrazinylbenzamide
CID 113452479
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
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N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 107575712
N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
2-(ethylamino)-N-(4-fluoro-3-methylphenyl)-5-methylbenzamide
CID 62813653
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide (CID 104779865) is N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide?
The InChIKey is JXAUKCLWJXHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-18-14-6-4-3-5-11(14)15(20)19-10-7-8-13(17)12(16)9-10/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide?
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide has a molecular weight of 337.19 g/mol, XLogP of 4.27, 4 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)-2-(ethylamino)benzamide is sourced from PubChem (CID 104779865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).