2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide

C12H18ClN3O — CID 107466016

IUPAC2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-4-15(2)12(17)8-16(3)11-7-9(13)5-6-10(11)14/h5-7H,4,8,14H2,1-3H3
InChIKeyYOIKAZCUDWYSSG-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide

2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide (PubChem CID 107466016) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
PubChem CID107466016
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)c1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-4-15(2)12(17)8-16(3)11-7-9(13)5-6-10(11)14/h5-7H,4,8,14H2,1-3H3
InChIKeyYOIKAZCUDWYSSG-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
2-(2-amino-5-chloro-N-methylanilino)-N-pentan-2-ylacetamide
CID 107466147
2-(2-amino-5-chloro-N-methylanilino)-N-(cyanomethyl)acetamide
CID 107466058
2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
4-chloro-2-N-[2-(dimethylamino)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468988
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
ethyl 2-(2-amino-5-chloro-N-methylanilino)pentanoate
CID 107466129
2-(N,2-diamino-5-chloroanilino)acetic acid
CID 165131295
4-(2-amino-5-chloro-N-methylanilino)-2-methylbutan-2-ol
CID 107466176
4-amino-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N,N-dimethylbenzamide
CID 63360563

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide (CID 107466016) is 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN(C)c1cc(Cl)ccc1N.
What is the InChIKey of 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide?
The InChIKey is YOIKAZCUDWYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-15(2)12(17)8-16(3)11-7-9(13)5-6-10(11)14/h5-7H,4,8,14H2,1-3H3.
What are the key properties of 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide?
2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide has a molecular weight of 255.75 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-N-methylanilino)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107466016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).