3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide

C13H18ClN3O2 — CID 61265397

IUPAC3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)N)c1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,15)12(19)16-10-7-8(5-6-9(10)14)11(18)17(3)4/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyWUGGJIKHBBKJAW-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.72
Rot. Bonds3

About 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide

3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 61265397) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID61265397
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)N)c1
InChIInChI=1S/C13H18ClN3O2/c1-13(2,15)12(19)16-10-7-8(5-6-9(10)14)11(18)17(3)4/h5-7H,15H2,1-4H3,(H,16,19)
InChIKeyWUGGJIKHBBKJAW-UHFFFAOYSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
4-chloro-3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-N,N-dimethylbenzamide
CID 38956500
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 79011608
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3-[(2-bromo-3-methylbutanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 43696142
2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47086686

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide (CID 61265397) is 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)c(NC(=O)C(C)(C)N)c1.
What is the InChIKey of 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is WUGGJIKHBBKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-13(2,15)12(19)16-10-7-8(5-6-9(10)14)11(18)17(3)4/h5-7H,15H2,1-4H3,(H,16,19).
What are the key properties of 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide?
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 283.76 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 61265397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).