2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide

C15H23BrN2O — CID 81005126

IUPAC2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-5-8-18(10-9-17(3)4)15(19)13-11-12(2)6-7-14(13)16/h6-7,11H,5,8-10H2,1-4H3
InChIKeyGDTRYYPLQPOPKE-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.17
Rot. Bonds6

About 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide

2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide (PubChem CID 81005126) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
PubChem CID81005126
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1cc(C)ccc1Br
InChIInChI=1S/C15H23BrN2O/c1-5-8-18(10-9-17(3)4)15(19)13-11-12(2)6-7-14(13)16/h6-7,11H,5,8-10H2,1-4H3
InChIKeyGDTRYYPLQPOPKE-UHFFFAOYSA-N
XLogP3.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
2-bromo-N,N-bis(2-hydroxyethyl)-5-methylbenzamide
CID 81109663
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
2-bromo-N-ethyl-5-methyl-N-prop-2-ynylbenzamide
CID 80976098
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
2,5-dibromo-N-(2-bromoethyl)-N-propylbenzamide
CID 114375647
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide (CID 81005126) is 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide?
The InChIKey is GDTRYYPLQPOPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-8-18(10-9-17(3)4)15(19)13-11-12(2)6-7-14(13)16/h6-7,11H,5,8-10H2,1-4H3.
What are the key properties of 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide?
2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide has a molecular weight of 327.27 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)ethyl]-5-methyl-N-propylbenzamide is sourced from PubChem (CID 81005126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).