2-(3-chloro-N-ethyl-2-formylanilino)butanamide

C13H17ClN2O2 — CID 123641552

IUPAC2-(3-chloro-N-ethyl-2-formylanilino)butanamide
SMILESCCC(C(N)=O)N(CC)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H17ClN2O2/c1-3-11(13(15)18)16(4-2)12-7-5-6-10(14)9(12)8-17/h5-8,11H,3-4H2,1-2H3,(H2,15,18)
InChIKeyZWWSLAPBCWSUKX-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-chloro-N-ethyl-2-formylanilino)butanamide

2-(3-chloro-N-ethyl-2-formylanilino)butanamide (PubChem CID 123641552) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chloro-N-ethyl-2-formylanilino)butanamide.

Molecular Properties

Compound Name2-(3-chloro-N-ethyl-2-formylanilino)butanamide
PubChem CID123641552
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(3-chloro-N-ethyl-2-formylanilino)butanamide
SMILESCCC(C(N)=O)N(CC)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H17ClN2O2/c1-3-11(13(15)18)16(4-2)12-7-5-6-10(14)9(12)8-17/h5-8,11H,3-4H2,1-2H3,(H2,15,18)
InChIKeyZWWSLAPBCWSUKX-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.24
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

(2S)-2-(2,3-dichloro-N-ethylanilino)butanoic acid
CID 100519897
(2R)-2-(3-chloro-N-ethyl-2-methylanilino)butanoic acid
CID 100519415
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
CID 54948718
2-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270
2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
CID 158457081
2,6-dichlorobenzaldehyde;ethane
CID 90823593
ethyl 2-(3-chloro-2-formylphenoxy)pentanoate
CID 83041251
2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
CID 55004174
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
2-[(2,6-dichlorophenyl)methylideneamino]oxybutanamide
CID 57093096
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-ethyl-2-formylanilino)butanamide?
The IUPAC name of 2-(3-chloro-N-ethyl-2-formylanilino)butanamide (CID 123641552) is 2-(3-chloro-N-ethyl-2-formylanilino)butanamide.
What is the SMILES notation for 2-(3-chloro-N-ethyl-2-formylanilino)butanamide?
The canonical SMILES for 2-(3-chloro-N-ethyl-2-formylanilino)butanamide is CCC(C(N)=O)N(CC)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-(3-chloro-N-ethyl-2-formylanilino)butanamide?
The InChIKey is ZWWSLAPBCWSUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-11(13(15)18)16(4-2)12-7-5-6-10(14)9(12)8-17/h5-8,11H,3-4H2,1-2H3,(H2,15,18).
What are the key properties of 2-(3-chloro-N-ethyl-2-formylanilino)butanamide?
2-(3-chloro-N-ethyl-2-formylanilino)butanamide has a molecular weight of 268.74 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-ethyl-2-formylanilino)butanamide is sourced from PubChem (CID 123641552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).