2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide

C14H20BrN3O2 — CID 79719377

IUPAC2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H20BrN3O2/c1-3-18(4-2)13(19)7-8-17-14(20)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,20)
InChIKeyYFZIBDREOAJVAG-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.02
Rot. Bonds6

About 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide

2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide (PubChem CID 79719377) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
PubChem CID79719377
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H20BrN3O2/c1-3-18(4-2)13(19)7-8-17-14(20)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,20)
InChIKeyYFZIBDREOAJVAG-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
2-amino-4-bromo-N-(3-methylbutyl)benzamide
CID 79714251
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
2-amino-4-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79713946
2-amino-4-bromo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzamide
CID 79722870
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
2-amino-4-bromo-N-[3-(2-methylpropoxy)propyl]benzamide
CID 79713860

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide (CID 79719377) is 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide is CCN(CC)C(=O)CCNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
The InChIKey is YFZIBDREOAJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-3-18(4-2)13(19)7-8-17-14(20)11-6-5-10(15)9-12(11)16/h5-6,9H,3-4,7-8,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide?
2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 79719377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).