3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

C13H17Br2NO2 — CID 103908083

IUPAC3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cc(Br)cc(Br)c1)C(C)COC
InChIInChI=1S/C13H17Br2NO2/c1-4-16(9(2)8-18-3)13(17)10-5-11(14)7-12(15)6-10/h5-7,9H,4,8H2,1-3H3
InChIKeyORMFLRDCIIZGTL-UHFFFAOYSA-N
MW379.09 g/mol
LogP3.71
Rot. Bonds5

About 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103908083) has the molecular formula C13H17Br2NO2 and a molecular weight of 379.09 g/mol. Its IUPAC name is 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103908083
Molecular FormulaC13H17Br2NO2
Molecular Weight379.09 g/mol
Exact Mass376.96
IUPAC Name3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1cc(Br)cc(Br)c1)C(C)COC
InChIInChI=1S/C13H17Br2NO2/c1-4-16(9(2)8-18-3)13(17)10-5-11(14)7-12(15)6-10/h5-7,9H,4,8H2,1-3H3
InChIKeyORMFLRDCIIZGTL-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
5-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 79929205
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
4-[ethyl(1-methoxypropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 113263118
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (CID 103908083) is 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1cc(Br)cc(Br)c1)C(C)COC.
What is the InChIKey of 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is ORMFLRDCIIZGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO2/c1-4-16(9(2)8-18-3)13(17)10-5-11(14)7-12(15)6-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 379.09 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).