5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide

C15H22ClN3O2 — CID 79813790

IUPAC5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-5-15(17,6-2)14(21)18-10-7-8-12(16)11(9-10)13(20)19(3)4/h7-9H,5-6,17H2,1-4H3,(H,18,21)
InChIKeyIHDZEEOWSGMDCZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.50
Rot. Bonds5

About 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide

5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide (PubChem CID 79813790) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
PubChem CID79813790
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C15H22ClN3O2/c1-5-15(17,6-2)14(21)18-10-7-8-12(16)11(9-10)13(20)19(3)4/h7-9H,5-6,17H2,1-4H3,(H,18,21)
InChIKeyIHDZEEOWSGMDCZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
5-[(2-amino-2-methylpentanoyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711593
2-chloro-N,N-dimethyl-5-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 86983037
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
5-[(2-amino-2-methylpentanoyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738495
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801
2-chloro-5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-N,N-dimethylbenzamide
CID 122132710

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide (CID 79813790) is 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide is CCC(N)(CC)C(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is IHDZEEOWSGMDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-5-15(17,6-2)14(21)18-10-7-8-12(16)11(9-10)13(20)19(3)4/h7-9H,5-6,17H2,1-4H3,(H,18,21).
What are the key properties of 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide?
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 311.81 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 79813790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).