N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide

C18H21Cl2N3O — CID 109010402

IUPACN-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(4-2)14-10-8-13(9-11-14)21-12-17(24)22-16-7-5-6-15(19)18(16)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyLECQHOXHNFYIMW-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.89
Rot. Bonds7

About N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide

N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide (PubChem CID 109010402) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
PubChem CID109010402
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
SMILESCCN(CC)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C18H21Cl2N3O/c1-3-23(4-2)14-10-8-13(9-11-14)21-12-17(24)22-16-7-5-6-15(19)18(16)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24)
InChIKeyLECQHOXHNFYIMW-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

N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
N-(4-acetamidophenyl)-2-(2,3-dichloroanilino)acetamide
CID 54816111
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide (CID 109010402) is N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide is CCN(CC)c1ccc(NCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide?
The InChIKey is LECQHOXHNFYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-3-23(4-2)14-10-8-13(9-11-14)21-12-17(24)22-16-7-5-6-15(19)18(16)20/h5-11,21H,3-4,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide?
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]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 N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide is sourced from PubChem (CID 109010402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).