2-(2-amino-4-chloroanilino)-N-ethylacetamide

C10H14ClN3O — CID 43566811

IUPAC2-(2-amino-4-chloroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClN3O/c1-2-13-10(15)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15)
InChIKeyHQFZUGODYFSOAB-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.47
Rot. Bonds4

About 2-(2-amino-4-chloroanilino)-N-ethylacetamide

2-(2-amino-4-chloroanilino)-N-ethylacetamide (PubChem CID 43566811) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-(2-amino-4-chloroanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-chloroanilino)-N-ethylacetamide
PubChem CID43566811
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-(2-amino-4-chloroanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1ccc(Cl)cc1N
InChIInChI=1S/C10H14ClN3O/c1-2-13-10(15)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15)
InChIKeyHQFZUGODYFSOAB-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoanilino)-N-ethylacetamide
CID 43566808
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
2-(2-amino-5-fluoroanilino)-N-ethylacetamide
CID 62377991
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
2-(3-amino-2-methylanilino)-N-ethylacetamide
CID 63077987
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806757
2-[4-amino-2-(difluoromethyl)anilino]-N-ethylacetamide
CID 63734081
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chloroanilino)-N-ethylacetamide?
The IUPAC name of 2-(2-amino-4-chloroanilino)-N-ethylacetamide (CID 43566811) is 2-(2-amino-4-chloroanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2-amino-4-chloroanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2-amino-4-chloroanilino)-N-ethylacetamide is CCNC(=O)CNc1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chloroanilino)-N-ethylacetamide?
The InChIKey is HQFZUGODYFSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-13-10(15)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,2,6,12H2,1H3,(H,13,15).
What are the key properties of 2-(2-amino-4-chloroanilino)-N-ethylacetamide?
2-(2-amino-4-chloroanilino)-N-ethylacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chloroanilino)-N-ethylacetamide is sourced from PubChem (CID 43566811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).