2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide

C17H17Cl3N2O — CID 4109111

IUPAC2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide
SMILESCc1ccc(NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H17Cl3N2O/c1-12-7-9-14(10-8-12)21-16(17(18,19)20)22-15(23)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,22,23)
InChIKeyQQQDGXMTSKIYGN-UHFFFAOYSA-N
MW371.70 g/mol
LogP4.46
Rot. Bonds5

About 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide

2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide (PubChem CID 4109111) has the molecular formula C17H17Cl3N2O and a molecular weight of 371.70 g/mol. Its IUPAC name is 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide
PubChem CID4109111
Molecular FormulaC17H17Cl3N2O
Molecular Weight371.70 g/mol
Exact Mass370.04
IUPAC Name2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide
SMILESCc1ccc(NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H17Cl3N2O/c1-12-7-9-14(10-8-12)21-16(17(18,19)20)22-15(23)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,22,23)
InChIKeyQQQDGXMTSKIYGN-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.70
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
N-(4-Methylphenyl)-N'-(4-phenylbutyl)urea
CID 24818670
3-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoylamino]propyl-trimethylazanium iodide
CID 9828402
Iem 611
CID 39794
N-(2,2,2-Trichloro-1-(((mesitylamino)carbothioyl)amino)ethyl)benzamide
CID 2887414
2-phenyl-N-[2,2,2-trichloro-1-(4-nitroanilino)ethyl]acetamide
CID 4249750
2-phenyl-N-[2,2,2-trichloro-1-(1-naphthylamino)ethyl]acetamide
CID 4287529
N-{2,2,2-Trichloro-1-[3-(2,4-dimethyl-phenyl)-thioureido]-ethyl}-benzamide
CID 3090814
1-(4-Methylphenyl)-3-(3-phenylpropyl)urea
CID 2237279
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]-4-phenylbutanamide
CID 11361743
N,N'-((4-(Diethylamino)phenyl)methylene)bis(3-phenylpropanamide)
CID 71450141
N,N'-((4-(diethylamino)phenyl)methylene)dipentanamide
CID 71451973

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide?
The IUPAC name of 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide (CID 4109111) is 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide is Cc1ccc(NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide?
The InChIKey is QQQDGXMTSKIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O/c1-12-7-9-14(10-8-12)21-16(17(18,19)20)22-15(23)11-13-5-3-2-4-6-13/h2-10,16,21H,11H2,1H3,(H,22,23).
What are the key properties of 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide?
2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide has a molecular weight of 371.70 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]acetamide is sourced from PubChem (CID 4109111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).