2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide

C13H17ClN2O2 — CID 54948718

IUPAC2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H17ClN2O2/c1-4-16(8-13(18)15(2)3)12-7-5-6-11(14)10(12)9-17/h5-7,9H,4,8H2,1-3H3
InChIKeyLDMLDSZZWAGFHP-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.07
Rot. Bonds5

About 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide

2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide (PubChem CID 54948718) 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)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
PubChem CID54948718
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1cccc(Cl)c1C=O
InChIInChI=1S/C13H17ClN2O2/c1-4-16(8-13(18)15(2)3)12-7-5-6-11(14)10(12)9-17/h5-7,9H,4,8H2,1-3H3
InChIKeyLDMLDSZZWAGFHP-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]benzaldehyde
CID 61436638
2-[bis(3-methylbutyl)amino]-6-chlorobenzaldehyde
CID 107870270
2-(3-chloro-N-ethyl-2-formylanilino)butanamide
CID 123641552
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82977349
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 63587654
2-(3-chloro-2-cyano-N-propylanilino)-N,N-dimethylacetamide
CID 62495381
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]benzaldehyde
CID 55010814
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
CID 63060390
2-chloro-6-[2-methoxyethyl(3-methoxypropyl)amino]benzaldehyde
CID 54989930
2-(2-carbamoyl-3-chloro-N-ethylanilino)acetic acid
CID 55079550
2-(N-ethyl-2-formyl-4-nitroanilino)-N,N-dimethylacetamide
CID 61449006

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide (CID 54948718) is 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1cccc(Cl)c1C=O.
What is the InChIKey of 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide?
The InChIKey is LDMLDSZZWAGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-16(8-13(18)15(2)3)12-7-5-6-11(14)10(12)9-17/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide?
2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide has a molecular weight of 268.74 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-ethyl-2-formylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 54948718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).