3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide

C15H23BrN2O — CID 104851807

IUPAC3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-18(5-2)8-6-7-17-15(19)13-9-12(3)10-14(16)11-13/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyJEMFDCKGEBWVMR-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.22
Rot. Bonds7

About 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide

3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide (PubChem CID 104851807) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
PubChem CID104851807
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
SMILESCCN(CC)CCCNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-4-18(5-2)8-6-7-17-15(19)13-9-12(3)10-14(16)11-13/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyJEMFDCKGEBWVMR-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
5-bromo-N-[3-(diethylamino)propyl]pyridine-3-carboxamide
CID 60628479
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
CID 104851935
4-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832772
3-bromo-N-[3-(2-chloroethoxy)propyl]-5-methylbenzamide
CID 114171378

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide (CID 104851807) is 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide is CCN(CC)CCCNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide?
The InChIKey is JEMFDCKGEBWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-18(5-2)8-6-7-17-15(19)13-9-12(3)10-14(16)11-13/h9-11H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide?
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide has a molecular weight of 327.27 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide is sourced from PubChem (CID 104851807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).