4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide

C14H20BrN3O2 — CID 112991558

IUPAC4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
SMILESCN(C)CCCNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-18(2)9-3-8-16-13(19)10-17-14(20)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCFUDOONVBZNGDB-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.25
Rot. Bonds7

About 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide

4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide (PubChem CID 112991558) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
PubChem CID112991558
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
SMILESCN(C)CCCNC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O2/c1-18(2)9-3-8-16-13(19)10-17-14(20)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyCFUDOONVBZNGDB-UHFFFAOYSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
3-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66174010
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide (CID 112991558) is 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide is CN(C)CCCNC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide?
The InChIKey is CFUDOONVBZNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-18(2)9-3-8-16-13(19)10-17-14(20)11-4-6-12(15)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 112991558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).