3-amino-4-bromo-N-(1-phenylethyl)benzamide

C15H15BrN2O — CID 61090554

IUPAC3-amino-4-bromo-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyUUGGWGOKMRFNKW-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.52
Rot. Bonds3

About 3-amino-4-bromo-N-(1-phenylethyl)benzamide

3-amino-4-bromo-N-(1-phenylethyl)benzamide (PubChem CID 61090554) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(1-phenylethyl)benzamide
PubChem CID61090554
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-4-bromo-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyUUGGWGOKMRFNKW-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

3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
4-amino-3-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360914
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
2-[(3-amino-4-bromobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107812985
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(1-phenylethyl)benzamide (CID 61090554) is 3-amino-4-bromo-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(Br)c(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-4-bromo-N-(1-phenylethyl)benzamide?
The InChIKey is UUGGWGOKMRFNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(1-phenylethyl)benzamide?
3-amino-4-bromo-N-(1-phenylethyl)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 3-amino-4-bromo-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 61090554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).