2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide

C14H19ClN2O2 — CID 114064086

IUPAC2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-4-17(8-14(19)16-10(2)3)12-6-5-11(9-18)13(15)7-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19)
InChIKeyWZVSPJDSAOIREK-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.50
Rot. Bonds6

About 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide

2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide (PubChem CID 114064086) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
PubChem CID114064086
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-4-17(8-14(19)16-10(2)3)12-6-5-11(9-18)13(15)7-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19)
InChIKeyWZVSPJDSAOIREK-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.50
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

2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
2-[2-chloro-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-propan-2-ylacetamide
CID 63371225
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
CID 62134065
2-(4-carbamothioyl-2-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 63087465
2-[ethyl-[6-(1-hydroxypropyl)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 115940411
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide (CID 114064086) is 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide?
The InChIKey is WZVSPJDSAOIREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-4-17(8-14(19)16-10(2)3)12-6-5-11(9-18)13(15)7-12/h5-7,9-10H,4,8H2,1-3H3,(H,16,19).
What are the key properties of 2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide?
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide has a molecular weight of 282.77 g/mol, XLogP of 2.50, 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-4-formylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 114064086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).