5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide

C17H27ClN2O — CID 63500077

IUPAC5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C17H27ClN2O/c1-5-13(6-2)12-20(8-4)17(21)15-11-14(18)9-10-16(15)19-7-3/h9-11,13,19H,5-8,12H2,1-4H3
InChIKeyPLEFXGUPDAXHDX-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.67
Rot. Bonds8

About 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide

5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide (PubChem CID 63500077) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
PubChem CID63500077
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N(CC)CC(CC)CC
InChIInChI=1S/C17H27ClN2O/c1-5-13(6-2)12-20(8-4)17(21)15-11-14(18)9-10-16(15)19-7-3/h9-11,13,19H,5-8,12H2,1-4H3
InChIKeyPLEFXGUPDAXHDX-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-ethyl-2-(ethylamino)-N-methylbenzamide
CID 62169124
5-chloro-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180211
N-ethyl-N-(2-ethylbutyl)-5-methyl-2-(methylamino)benzamide
CID 62511329
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333
5-chloro-2-(ethylamino)-N-(3-fluorophenyl)-N-methylbenzamide
CID 62173586
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide
CID 62175435
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide?
The IUPAC name of 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide (CID 63500077) is 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide is CCNc1ccc(Cl)cc1C(=O)N(CC)CC(CC)CC.
What is the InChIKey of 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide?
The InChIKey is PLEFXGUPDAXHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-13(6-2)12-20(8-4)17(21)15-11-14(18)9-10-16(15)19-7-3/h9-11,13,19H,5-8,12H2,1-4H3.
What are the key properties of 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide?
5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide has a molecular weight of 310.87 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide is sourced from PubChem (CID 63500077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).