3-amino-2-chloro-N-ethyl-N-methylbenzamide

C10H13ClN2O — CID 112574683

IUPAC3-amino-2-chloro-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-3-13(2)10(14)7-5-4-6-8(12)9(7)11/h4-6H,3,12H2,1-2H3
InChIKeyMEAHOKVPGSUWAI-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.01
Rot. Bonds2

About 3-amino-2-chloro-N-ethyl-N-methylbenzamide

3-amino-2-chloro-N-ethyl-N-methylbenzamide (PubChem CID 112574683) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-amino-2-chloro-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-ethyl-N-methylbenzamide
PubChem CID112574683
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-amino-2-chloro-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C10H13ClN2O/c1-3-13(2)10(14)7-5-4-6-8(12)9(7)11/h4-6H,3,12H2,1-2H3
InChIKeyMEAHOKVPGSUWAI-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-(2-methylbutyl)benzamide
CID 112574727
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
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-(methylamino)-2-oxoethyl]benzamide
CID 112574764
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
3-amino-2-chloro-N,N-bis(cyanomethyl)benzamide
CID 112574281
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
3-amino-2-chloro-N,N-bis(2-hydroxyethyl)benzamide
CID 112575679
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-amino-2-chloro-N-ethyl-N-methylbenzamide (CID 112574683) is 3-amino-2-chloro-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-amino-2-chloro-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-amino-2-chloro-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(N)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-ethyl-N-methylbenzamide?
The InChIKey is MEAHOKVPGSUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-13(2)10(14)7-5-4-6-8(12)9(7)11/h4-6H,3,12H2,1-2H3.
What are the key properties of 3-amino-2-chloro-N-ethyl-N-methylbenzamide?
3-amino-2-chloro-N-ethyl-N-methylbenzamide has a molecular weight of 212.68 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 112574683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).