2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide

C16H18ClN3O — CID 63233662

IUPAC2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-20(15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyQOURNYDHEXSYRW-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide

2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide (PubChem CID 63233662) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
PubChem CID63233662
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H18ClN3O/c1-2-20(15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyQOURNYDHEXSYRW-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(N-ethyl-3-hydroxyanilino)acetamide
CID 107733928
2-(4-amino-N-ethylanilino)-N-(3-methylphenyl)acetamide
CID 63233755
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
2-(4-amino-N-ethylanilino)-N-tert-butylacetamide
CID 63233665
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
2-(3-amino-N-ethylanilino)-N-(3-chlorophenyl)acetamide
CID 63229764
2-(3-amino-N-ethylanilino)-N-(4-methylphenyl)acetamide
CID 63229853
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide (CID 63233662) is 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide is CCN(CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide?
The InChIKey is QOURNYDHEXSYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-20(15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11,18H2,1H3,(H,19,21).
What are the key properties of 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide?
2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethylanilino)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 63233662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).