3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide

C10H12ClN3O2 — CID 112574760

IUPAC3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(5-8(13)15)10(16)6-3-2-4-7(12)9(6)11/h2-4H,5,12H2,1H3,(H2,13,15)
InChIKeyOWSIQYYJTDKIFW-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.48
Rot. Bonds3

About 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide

3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide (PubChem CID 112574760) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
PubChem CID112574760
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
SMILESCN(CC(N)=O)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H12ClN3O2/c1-14(5-8(13)15)10(16)6-3-2-4-7(12)9(6)11/h2-4H,5,12H2,1H3,(H2,13,15)
InChIKeyOWSIQYYJTDKIFW-UHFFFAOYSA-N
XLogP0.48
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.48
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-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
3-amino-2-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 112574764
3-amino-2-chloro-N-methyl-N-prop-2-enylbenzamide
CID 112576109
3-amino-2-chloro-N-methyl-N-prop-2-ynylbenzamide
CID 112576106
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
CID 107022665
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide (CID 112574760) is 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide is CN(CC(N)=O)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide?
The InChIKey is OWSIQYYJTDKIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-14(5-8(13)15)10(16)6-3-2-4-7(12)9(6)11/h2-4H,5,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide?
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide has a molecular weight of 241.68 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide is sourced from PubChem (CID 112574760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).