3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H14ClN3O2 — CID 112574764

IUPAC3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H14ClN3O2/c1-14-9(16)6-15(2)11(17)7-4-3-5-8(13)10(7)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyHSEXCJNZECAFMD-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 112574764) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID112574764
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C11H14ClN3O2/c1-14-9(16)6-15(2)11(17)7-4-3-5-8(13)10(7)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyHSEXCJNZECAFMD-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
2,3-dihydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 114343941
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 112574764) is 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(C)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is HSEXCJNZECAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-14-9(16)6-15(2)11(17)7-4-3-5-8(13)10(7)12/h3-5H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 255.71 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 112574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).