2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride

C12H17Cl2N3O2 — CID 119718973

IUPAC2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-14-7-11(17)15-8-4-5-10(13)9(6-8)12(18)16(2)3;/h4-6,14H,7H2,1-3H3,(H,15,17);1H
InChIKeyPFSFOEUAKILUBN-UHFFFAOYSA-N
MW306.19 g/mol
LogP1.62
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride

2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119718973) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119718973
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
SMILESCNCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-14-7-11(17)15-8-4-5-10(13)9(6-8)12(18)16(2)3;/h4-6,14H,7H2,1-3H3,(H,15,17);1H
InChIKeyPFSFOEUAKILUBN-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
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-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
CID 55674815
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 55662931
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride (CID 119718973) is 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride is CNCC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is PFSFOEUAKILUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2.ClH/c1-14-7-11(17)15-8-4-5-10(13)9(6-8)12(18)16(2)3;/h4-6,14H,7H2,1-3H3,(H,15,17);1H.
What are the key properties of 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride?
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119718973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).