2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide

C18H20ClN3O2 — CID 113176752

IUPAC2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)22(15-10-8-14(9-11-15)21(2)3)12-18(24)20-17-7-5-4-6-16(17)19/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyFPEKIHSNTNTZCL-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.40
Rot. Bonds5

About 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide

2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide (PubChem CID 113176752) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
PubChem CID113176752
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13(23)22(15-10-8-14(9-11-15)21(2)3)12-18(24)20-17-7-5-4-6-16(17)19/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyFPEKIHSNTNTZCL-UHFFFAOYSA-N
XLogP3.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
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

2-[N-acetyl-4-(dimethylamino)anilino]-N-(4-chlorophenyl)acetamide
CID 113176754
2-(N-acetyl-4-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113167753
N-(4-acetamidophenyl)-2-[N-acetyl-4-(dimethylamino)anilino]acetamide
CID 113176781
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 113176737
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902
2-(N-acetyl-4-propan-2-ylanilino)-N-(2-methylphenyl)acetamide
CID 113169828
2-(N-acetyl-2-ethoxyanilino)-N-(2-chlorophenyl)acetamide
CID 113173783
2-(N-acetyl-3,4-dimethylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 113168416
2-(N-acetyl-3,4-dimethylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113168353
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide (CID 113176752) is 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1Cl)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide?
The InChIKey is FPEKIHSNTNTZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(23)22(15-10-8-14(9-11-15)21(2)3)12-18(24)20-17-7-5-4-6-16(17)19/h4-11H,12H2,1-3H3,(H,20,24).
What are the key properties of 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide?
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide has a molecular weight of 345.83 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 113176752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).