5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide

C15H22ClN3O2 — CID 99839326

IUPAC5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C15H22ClN3O2/c1-5-18-12-7-6-10(16)8-11(12)14(20)19-13(9(2)3)15(21)17-4/h6-9,13,18H,5H2,1-4H3,(H,17,21)(H,19,20)/t13-/m0/s1
InChIKeyGISUDHYDBZQFQK-ZDUSSCGKSA-N
MW311.81 g/mol
LogP2.27
Rot. Bonds6

About 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide

5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide (PubChem CID 99839326) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide
PubChem CID99839326
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)N[C@H](C(=O)NC)C(C)C
InChIInChI=1S/C15H22ClN3O2/c1-5-18-12-7-6-10(16)8-11(12)14(20)19-13(9(2)3)15(21)17-4/h6-9,13,18H,5H2,1-4H3,(H,17,21)(H,19,20)/t13-/m0/s1
InChIKeyGISUDHYDBZQFQK-ZDUSSCGKSA-N
XLogP2.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide (CID 99839326) is 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide is CCNc1ccc(Cl)cc1C(=O)N[C@H](C(=O)NC)C(C)C.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is GISUDHYDBZQFQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-5-18-12-7-6-10(16)8-11(12)14(20)19-13(9(2)3)15(21)17-4/h6-9,13,18H,5H2,1-4H3,(H,17,21)(H,19,20)/t13-/m0/s1.
What are the key properties of 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide?
5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 311.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 99839326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).