3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide

C14H19BrN2O2 — CID 113460828

IUPAC3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-4-17(5-2)13(18)9-16-14(19)11-6-10(3)7-12(15)8-11/h6-8H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyBHIXDVQOSYSBKH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.36
Rot. Bonds5

About 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide

3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide (PubChem CID 113460828) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
PubChem CID113460828
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-4-17(5-2)13(18)9-16-14(19)11-6-10(3)7-12(15)8-11/h6-8H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyBHIXDVQOSYSBKH-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
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-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
3-bromo-5-methyl-N-octylbenzamide
CID 104852918

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide (CID 113460828) is 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide is CCN(CC)C(=O)CNC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide?
The InChIKey is BHIXDVQOSYSBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-17(5-2)13(18)9-16-14(19)11-6-10(3)7-12(15)8-11/h6-8H,4-5,9H2,1-3H3,(H,16,19).
What are the key properties of 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide?
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide is sourced from PubChem (CID 113460828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).