N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide

C15H14BrFN2O — CID 43297640

IUPACN-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccc(N)c1
InChIInChI=1S/C15H14BrFN2O/c1-9(10-3-2-4-12(18)7-10)19-15(20)13-8-11(16)5-6-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyXIPYLLUSAWCQEQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.66
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide

N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide (PubChem CID 43297640) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
PubChem CID43297640
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)c1cccc(N)c1
InChIInChI=1S/C15H14BrFN2O/c1-9(10-3-2-4-12(18)7-10)19-15(20)13-8-11(16)5-6-14(13)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyXIPYLLUSAWCQEQ-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
N-[1-(3-aminophenyl)ethyl]-2-bromo-5-fluorobenzamide
CID 43297707
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide (CID 43297640) is N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide is CC(NC(=O)c1cc(Br)ccc1F)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The InChIKey is XIPYLLUSAWCQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9(10-3-2-4-12(18)7-10)19-15(20)13-8-11(16)5-6-14(13)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide?
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 43297640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).