N-butyl-3,4-dichloro-N-ethylbenzamide

C13H17Cl2NO — CID 2163962

IUPACN-butyl-3,4-dichloro-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-3-5-8-16(4-2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyATOZZFITRRPGJO-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.26
Rot. Bonds5

About N-butyl-3,4-dichloro-N-ethylbenzamide

N-butyl-3,4-dichloro-N-ethylbenzamide (PubChem CID 2163962) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is N-butyl-3,4-dichloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-butyl-3,4-dichloro-N-ethylbenzamide
PubChem CID2163962
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC NameN-butyl-3,4-dichloro-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO/c1-3-5-8-16(4-2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3
InChIKeyATOZZFITRRPGJO-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dichloro-N-ethylbenzamide?
The IUPAC name of N-butyl-3,4-dichloro-N-ethylbenzamide (CID 2163962) is N-butyl-3,4-dichloro-N-ethylbenzamide.
What is the SMILES notation for N-butyl-3,4-dichloro-N-ethylbenzamide?
The canonical SMILES for N-butyl-3,4-dichloro-N-ethylbenzamide is CCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-butyl-3,4-dichloro-N-ethylbenzamide?
The InChIKey is ATOZZFITRRPGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-5-8-16(4-2)13(17)10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-butyl-3,4-dichloro-N-ethylbenzamide?
N-butyl-3,4-dichloro-N-ethylbenzamide has a molecular weight of 274.19 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dichloro-N-ethylbenzamide is sourced from PubChem (CID 2163962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).