3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide

C14H19BrN2O2 — CID 99606290

IUPAC3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-5-16-13(18)4-6-17-14(19)11-7-10(2)8-12(15)9-11/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPJKCVZRAFAVWFP-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds6

About 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide

3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide (PubChem CID 99606290) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
PubChem CID99606290
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
SMILESCCCNC(=O)CCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-5-16-13(18)4-6-17-14(19)11-7-10(2)8-12(15)9-11/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPJKCVZRAFAVWFP-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]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

N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide (CID 99606290) is 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide is CCCNC(=O)CCNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
The InChIKey is PJKCVZRAFAVWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-5-16-13(18)4-6-17-14(19)11-7-10(2)8-12(15)9-11/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide?
3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide is sourced from PubChem (CID 99606290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).