2-amino-N-[1-(3-bromophenyl)ethyl]benzamide

C15H15BrN2O — CID 61021681

IUPAC2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyBQFKEDAGBDPVSX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.52
Rot. Bonds3

About 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide

2-amino-N-[1-(3-bromophenyl)ethyl]benzamide (PubChem CID 61021681) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
PubChem CID61021681
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1N)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19)
InChIKeyBQFKEDAGBDPVSX-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

2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2-amino-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 61213095
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
CID 97311230
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide (CID 61021681) is 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1N)c1cccc(Br)c1.
What is the InChIKey of 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide?
The InChIKey is BQFKEDAGBDPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(11-5-4-6-12(16)9-11)18-15(19)13-7-2-3-8-14(13)17/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide?
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide 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 2-amino-N-[1-(3-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 61021681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).