2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide

C18H21Cl2N3O — CID 109010434

IUPAC2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(4-2)15-8-6-14(7-9-15)22-18(24)12-21-17-10-5-13(19)11-16(17)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyZKEZGONSXMDZEP-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.89
Rot. Bonds7

About 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide

2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 109010434) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
PubChem CID109010434
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(4-2)15-8-6-14(7-9-15)22-18(24)12-21-17-10-5-13(19)11-16(17)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyZKEZGONSXMDZEP-UHFFFAOYSA-N
XLogP4.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
N-[4-(diethylamino)phenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007429
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide (CID 109010434) is 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is ZKEZGONSXMDZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-3-23(4-2)15-8-6-14(7-9-15)22-18(24)12-21-17-10-5-13(19)11-16(17)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide?
2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 366.29 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 109010434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).