3-amino-4-bromo-N-ethyl-N-phenylbenzamide

C15H15BrN2O — CID 61090191

IUPAC3-amino-4-bromo-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-2-18(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(17)10-11/h3-10H,2,17H2,1H3
InChIKeyTXGWACZIZOUMBM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.70
Rot. Bonds3

About 3-amino-4-bromo-N-ethyl-N-phenylbenzamide

3-amino-4-bromo-N-ethyl-N-phenylbenzamide (PubChem CID 61090191) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-ethyl-N-phenylbenzamide
PubChem CID61090191
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-amino-4-bromo-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-2-18(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(17)10-11/h3-10H,2,17H2,1H3
InChIKeyTXGWACZIZOUMBM-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-ethyl-N-(2-methylphenyl)benzamide
CID 61091736
4-amino-N-ethyl-3-nitro-N-phenylbenzamide
CID 60650996
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
3-amino-4-bromo-N-(4-ethylphenyl)-N-methylbenzamide
CID 62003107
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-ethyl-N-phenylbenzamide (CID 61090191) is 3-amino-4-bromo-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-4-bromo-N-ethyl-N-phenylbenzamide?
The InChIKey is TXGWACZIZOUMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-2-18(12-6-4-3-5-7-12)15(19)11-8-9-13(16)14(17)10-11/h3-10H,2,17H2,1H3.
What are the key properties of 3-amino-4-bromo-N-ethyl-N-phenylbenzamide?
3-amino-4-bromo-N-ethyl-N-phenylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 61090191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).