3-amino-4-bromo-N-(3-ethylphenyl)benzamide

C15H15BrN2O — CID 61090789

IUPAC3-amino-4-bromo-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-2-10-4-3-5-12(8-10)18-15(19)11-6-7-13(16)14(17)9-11/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyBCYCZHCGUFVBGX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.85
Rot. Bonds3

About 3-amino-4-bromo-N-(3-ethylphenyl)benzamide

3-amino-4-bromo-N-(3-ethylphenyl)benzamide (PubChem CID 61090789) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(3-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(3-ethylphenyl)benzamide
PubChem CID61090789
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-4-bromo-N-(3-ethylphenyl)benzamide
SMILESCCc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1
InChIInChI=1S/C15H15BrN2O/c1-2-10-4-3-5-12(8-10)18-15(19)11-6-7-13(16)14(17)9-11/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyBCYCZHCGUFVBGX-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
3-amino-4-bromo-N-(2-ethyl-6-methylphenyl)benzamide
CID 61090453
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(3-ethylphenyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(3-ethylphenyl)benzamide (CID 61090789) is 3-amino-4-bromo-N-(3-ethylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(3-ethylphenyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(3-ethylphenyl)benzamide is CCc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1.
What is the InChIKey of 3-amino-4-bromo-N-(3-ethylphenyl)benzamide?
The InChIKey is BCYCZHCGUFVBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-10-4-3-5-12(8-10)18-15(19)11-6-7-13(16)14(17)9-11/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-4-bromo-N-(3-ethylphenyl)benzamide?
3-amino-4-bromo-N-(3-ethylphenyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.85, 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-(3-ethylphenyl)benzamide is sourced from PubChem (CID 61090789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).