N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide

C15H14BrFN2O — CID 63230469

IUPACN-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)c1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(16)9-14(13)17/h3-9H,2,18H2,1H3
InChIKeyAVKOUHXVASAOOF-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.84
Rot. Bonds3

About N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide

N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide (PubChem CID 63230469) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
PubChem CID63230469
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)c1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(16)9-14(13)17/h3-9H,2,18H2,1H3
InChIKeyAVKOUHXVASAOOF-UHFFFAOYSA-N
XLogP3.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-bromo-N-ethyl-2-methoxybenzamide
CID 115368567
N-(2-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide
CID 62101480
N-(4-aminophenyl)-5-chloro-N-ethyl-2-fluorobenzamide
CID 63230338
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
5-amino-N-ethyl-2,4-difluoro-N-(4-methylphenyl)benzamide
CID 62002734
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
N-(4-aminophenyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 63234084
N-(4-aminophenyl)-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 55175946

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide (CID 63230469) is N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide is CCN(C(=O)c1ccc(Br)cc1F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide?
The InChIKey is AVKOUHXVASAOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-19(12-6-4-11(18)5-7-12)15(20)13-8-3-10(16)9-14(13)17/h3-9H,2,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide?
N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-bromo-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 63230469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).