2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide

C17H17Cl3N2O2 — CID 3092691

IUPAC2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NC(Nc1cccc(C)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C17H17Cl3N2O2/c1-11-6-5-7-12(10-11)21-16(17(18,19)20)22-15(23)13-8-3-4-9-14(13)24-2/h3-10,16,21H,1-2H3,(H,22,23)
InChIKeyVWGKWTGORZUVIE-UHFFFAOYSA-N
MW387.69 g/mol
LogP4.54
Rot. Bonds5

About 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide

2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide (PubChem CID 3092691) has the molecular formula C17H17Cl3N2O2 and a molecular weight of 387.69 g/mol. Its IUPAC name is 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide
PubChem CID3092691
Molecular FormulaC17H17Cl3N2O2
Molecular Weight387.69 g/mol
Exact Mass386.04
IUPAC Name2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NC(Nc1cccc(C)c1)C(Cl)(Cl)Cl
InChIInChI=1S/C17H17Cl3N2O2/c1-11-6-5-7-12(10-11)21-16(17(18,19)20)22-15(23)13-8-3-4-9-14(13)24-2/h3-10,16,21H,1-2H3,(H,22,23)
InChIKeyVWGKWTGORZUVIE-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
CID 7060127
2-methyl-N-[(1R)-2,2,2-trichloro-1-(3-chloroanilino)ethyl]benzamide
CID 7024765
3-[[2,2,2-trichloro-1-[(2-methoxybenzoyl)amino]ethyl]carbamothioylamino]benzoic acid
CID 44721806
N-[(1R)-1-(4-bromoanilino)-2,2,2-trichloroethyl]-3-methylbenzamide
CID 27340129
2-methoxy-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3735632
2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381280
2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381279
2-methoxy-N-[2,2,2-trichloro-1-[(2,6-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3465127
2-(2-methoxyphenyl)-2-(3-methylanilino)acetic acid
CID 60993074
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
2-fluoro-N-[(1R)-2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide
CID 1371818
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide (CID 3092691) is 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide is COc1ccccc1C(=O)NC(Nc1cccc(C)c1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide?
The InChIKey is VWGKWTGORZUVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O2/c1-11-6-5-7-12(10-11)21-16(17(18,19)20)22-15(23)13-8-3-4-9-14(13)24-2/h3-10,16,21H,1-2H3,(H,22,23).
What are the key properties of 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide?
2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide has a molecular weight of 387.69 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide is sourced from PubChem (CID 3092691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).