2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide

C13H18ClN3O2 — CID 55122685

IUPAC2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
SMILESCCNCC(C)C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-16-7-8(2)13(19)17-9-4-5-11(14)10(6-9)12(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyKWKRIWUWABHMDV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.62
Rot. Bonds6

About 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide

2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide (PubChem CID 55122685) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
PubChem CID55122685
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
SMILESCCNCC(C)C(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-16-7-8(2)13(19)17-9-4-5-11(14)10(6-9)12(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyKWKRIWUWABHMDV-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557
5-[(2-bromo-3-methylbutanoyl)amino]-2-chlorobenzamide
CID 43699184
2-chloro-5-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]benzamide
CID 43055354
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzamide
CID 104684164
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
2-chloro-5-(heptan-2-ylamino)benzamide
CID 43713383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide?
The IUPAC name of 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide (CID 55122685) is 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide?
The canonical SMILES for 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide is CCNCC(C)C(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide?
The InChIKey is KWKRIWUWABHMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-16-7-8(2)13(19)17-9-4-5-11(14)10(6-9)12(15)18/h4-6,8,16H,3,7H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide?
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide has a molecular weight of 283.76 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide is sourced from PubChem (CID 55122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).