5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide

C16H26BrN3O — CID 102990935

IUPAC5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H26BrN3O/c1-4-19(5-2)10-7-11-20(6-3)16(21)14-12-13(18)8-9-15(14)17/h8-9,12H,4-7,10-11,18H2,1-3H3
InChIKeyJIYNYURELDYTON-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.23
Rot. Bonds8

About 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide

5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide (PubChem CID 102990935) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
PubChem CID102990935
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide
SMILESCCN(CC)CCCN(CC)C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C16H26BrN3O/c1-4-19(5-2)10-7-11-20(6-3)16(21)14-12-13(18)8-9-15(14)17/h8-9,12H,4-7,10-11,18H2,1-3H3
InChIKeyJIYNYURELDYTON-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107396879
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
CID 102993518
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
methyl 2-[(5-amino-2-bromobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62956423
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62635721
2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
N-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroxybenzamide
CID 102993947
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The IUPAC name of 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide (CID 102990935) is 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The canonical SMILES for 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide is CCN(CC)CCCN(CC)C(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
The InChIKey is JIYNYURELDYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-4-19(5-2)10-7-11-20(6-3)16(21)14-12-13(18)8-9-15(14)17/h8-9,12H,4-7,10-11,18H2,1-3H3.
What are the key properties of 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide?
5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide has a molecular weight of 356.31 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[3-(diethylamino)propyl]-N-ethylbenzamide is sourced from PubChem (CID 102990935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).