2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide

C12H15ClN2O2 — CID 114844095

IUPAC2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(Cl)cc1C=O
InChIInChI=1S/C12H15ClN2O2/c1-3-15(7-12(17)14-2)11-5-4-10(13)6-9(11)8-16/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyGIRXLHMGARXNSF-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.72
Rot. Bonds5

About 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide

2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide (PubChem CID 114844095) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
PubChem CID114844095
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(Cl)cc1C=O
InChIInChI=1S/C12H15ClN2O2/c1-3-15(7-12(17)14-2)11-5-4-10(13)6-9(11)8-16/h4-6,8H,3,7H2,1-2H3,(H,14,17)
InChIKeyGIRXLHMGARXNSF-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid
CID 114858301
2-(N-ethyl-2-formyl-4-nitroanilino)-N-methylacetamide
CID 61448850
2-(5-chloro-2-formyl-N-methylanilino)-N-methylacetamide
CID 114843948
4-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 114845016
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-[ethyl(2-methylprop-2-enyl)amino]-5-fluorobenzaldehyde
CID 43312933
2-(2-amino-4-chloro-N-ethyl-5-fluoroanilino)-N-methylacetamide
CID 66079546
2-(4-chloro-N-ethyl-2-methylanilino)acetic acid
CID 83560488
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
5-chloro-2-[methyl(pentyl)amino]benzaldehyde
CID 114843937
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775
2-(N-ethyl-2-formyl-4-nitroanilino)-N,N-dimethylacetamide
CID 61449006

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide (CID 114844095) is 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide is CCN(CC(=O)NC)c1ccc(Cl)cc1C=O.
What is the InChIKey of 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide?
The InChIKey is GIRXLHMGARXNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-15(7-12(17)14-2)11-5-4-10(13)6-9(11)8-16/h4-6,8H,3,7H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide?
2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide has a molecular weight of 254.72 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide is sourced from PubChem (CID 114844095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).