2-(3-chloro-4-ethoxyanilino)-N-propylacetamide

C13H19ClN2O2 — CID 87029646

IUPAC2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-7-15-13(17)9-16-10-5-6-12(18-4-2)11(14)8-10/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyJCTPKJMGKOXFNX-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.68
Rot. Bonds7

About 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide

2-(3-chloro-4-ethoxyanilino)-N-propylacetamide (PubChem CID 87029646) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
PubChem CID87029646
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(OCC)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2/c1-3-7-15-13(17)9-16-10-5-6-12(18-4-2)11(14)8-10/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17)
InChIKeyJCTPKJMGKOXFNX-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
2-chloro-N-(2-methylbutan-2-yl)-4-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 60539228
N'-(3-chloro-4-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 115205584
2-[3-bromo-4-(trifluoromethoxy)anilino]-N-propylacetamide
CID 107336196
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
2-(4-ethyl-3-methylanilino)-N-propylacetamide
CID 113346217

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide?
The IUPAC name of 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide (CID 87029646) is 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide.
What is the SMILES notation for 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide?
The canonical SMILES for 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide is CCCNC(=O)CNc1ccc(OCC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide?
The InChIKey is JCTPKJMGKOXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-7-15-13(17)9-16-10-5-6-12(18-4-2)11(14)8-10/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide?
2-(3-chloro-4-ethoxyanilino)-N-propylacetamide has a molecular weight of 270.76 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyanilino)-N-propylacetamide is sourced from PubChem (CID 87029646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).