3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide

C12H16BrClN2O — CID 155666970

IUPAC3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
SMILESCCNc1c(Br)cc(Cl)cc1C(=O)N(C)CC
InChIInChI=1S/C12H16BrClN2O/c1-4-15-11-9(12(17)16(3)5-2)6-8(14)7-10(11)13/h6-7,15H,4-5H2,1-3H3
InChIKeyYLDJFGFLEKPHGJ-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.63
Rot. Bonds4

About 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide

3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide (PubChem CID 155666970) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
PubChem CID155666970
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
SMILESCCNc1c(Br)cc(Cl)cc1C(=O)N(C)CC
InChIInChI=1S/C12H16BrClN2O/c1-4-15-11-9(12(17)16(3)5-2)6-8(14)7-10(11)13/h6-7,15H,4-5H2,1-3H3
InChIKeyYLDJFGFLEKPHGJ-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide (CID 155666970) is 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide is CCNc1c(Br)cc(Cl)cc1C(=O)N(C)CC.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide?
The InChIKey is YLDJFGFLEKPHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-4-15-11-9(12(17)16(3)5-2)6-8(14)7-10(11)13/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide?
3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide has a molecular weight of 319.63 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide is sourced from PubChem (CID 155666970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).