N-butyl-2-chloro-N-ethylbenzamide

C13H18ClNO — CID 2164666

IUPACN-butyl-2-chloro-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3
InChIKeyZOQCMILIKNHYFG-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.60
Rot. Bonds5

About N-butyl-2-chloro-N-ethylbenzamide

N-butyl-2-chloro-N-ethylbenzamide (PubChem CID 2164666) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-butyl-2-chloro-N-ethylbenzamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-ethylbenzamide
PubChem CID2164666
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-butyl-2-chloro-N-ethylbenzamide
SMILESCCCCN(CC)C(=O)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3
InChIKeyZOQCMILIKNHYFG-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-bromo-N-butyl-N-ethylbenzamide
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N-butyl-N-ethyl-2-(methylamino)benzamide
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2-bromo-N-dodecyl-N-ethylbenzamide
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N-butyl-2-chloro-N-ethyl-4-nitrobenzamide
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2-amino-3-chloro-N-[3-(diethylamino)propyl]-N-ethylbenzamide
CID 102990923
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
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2-bromo-N,N-dibutylbenzamide
CID 2843235
2-[butyl(ethyl)amino]-1-(2-chlorophenyl)ethanone
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2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-ethylbenzamide?
The IUPAC name of N-butyl-2-chloro-N-ethylbenzamide (CID 2164666) is N-butyl-2-chloro-N-ethylbenzamide.
What is the SMILES notation for N-butyl-2-chloro-N-ethylbenzamide?
The canonical SMILES for N-butyl-2-chloro-N-ethylbenzamide is CCCCN(CC)C(=O)c1ccccc1Cl.
What is the InChIKey of N-butyl-2-chloro-N-ethylbenzamide?
The InChIKey is ZOQCMILIKNHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-5-10-15(4-2)13(16)11-8-6-7-9-12(11)14/h6-9H,3-5,10H2,1-2H3.
What are the key properties of N-butyl-2-chloro-N-ethylbenzamide?
N-butyl-2-chloro-N-ethylbenzamide has a molecular weight of 239.75 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 2164666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).