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

C15H14BrFN2O — CID 62171530

IUPACN-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O/c1-2-18-13-6-4-3-5-11(13)15(20)19-14-8-7-10(16)9-12(14)17/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyPJSJUFJQWARLQY-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.27
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide (PubChem CID 62171530) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
PubChem CID62171530
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O/c1-2-18-13-6-4-3-5-11(13)15(20)19-14-8-7-10(16)9-12(14)17/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyPJSJUFJQWARLQY-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

2-(ethylamino)-N-(2-fluorophenyl)benzamide
CID 55042608
N-(3-bromo-4-fluorophenyl)-2-(ethylamino)benzamide
CID 104779865
2-(ethylamino)-N-(2-fluorophenyl)-5-methylbenzamide
CID 62511053
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
2-[[2-(ethylamino)benzoyl]amino]benzoic acid
CID 14221255
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618436
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
N-(4-chloro-3-fluorophenyl)-2-(ethylamino)benzamide
CID 62177542

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide (CID 62171530) is N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide?
The InChIKey is PJSJUFJQWARLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-18-13-6-4-3-5-11(13)15(20)19-14-8-7-10(16)9-12(14)17/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide?
N-(4-bromo-2-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-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 62171530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).