N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide

C15H15BrN2O — CID 43297641

IUPACN-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C15H15BrN2O/c1-10(11-4-3-7-14(17)9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyDZOFICBZGGPODX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.52
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide

N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide (PubChem CID 43297641) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
PubChem CID43297641
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1cccc(N)c1
InChIInChI=1S/C15H15BrN2O/c1-10(11-4-3-7-14(17)9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyDZOFICBZGGPODX-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.52
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

N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
4-bromo-N-[1-(3-bromophenyl)ethyl]-3-hydroxybenzamide
CID 103830500
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide (CID 43297641) is N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide is CC(NC(=O)c1cccc(Br)c1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide?
The InChIKey is DZOFICBZGGPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(11-4-3-7-14(17)9-11)18-15(19)12-5-2-6-13(16)8-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide?
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.52, 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]-3-bromobenzamide is sourced from PubChem (CID 43297641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).