3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide

C17H16Cl4N2O3 — CID 2887409

IUPAC3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC
InChIInChI=1S/C17H16Cl4N2O3/c1-25-13-8-3-10(9-14(13)26-2)15(24)23-16(17(19,20)21)22-12-6-4-11(18)5-7-12/h3-9,16,22H,1-2H3,(H,23,24)
InChIKeyWESKIWYHQZEKFY-UHFFFAOYSA-N
MW438.14 g/mol
LogP4.90
Rot. Bonds6

About 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide

3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide (PubChem CID 2887409) has the molecular formula C17H16Cl4N2O3 and a molecular weight of 438.14 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
PubChem CID2887409
Molecular FormulaC17H16Cl4N2O3
Molecular Weight438.14 g/mol
Exact Mass435.99
IUPAC Name3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC
InChIInChI=1S/C17H16Cl4N2O3/c1-25-13-8-3-10(9-14(13)26-2)15(24)23-16(17(19,20)21)22-12-6-4-11(18)5-7-12/h3-9,16,22H,1-2H3,(H,23,24)
InChIKeyWESKIWYHQZEKFY-UHFFFAOYSA-N
XLogP4.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.14
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxy-3-nitroanilino)ethyl]benzamide
CID 6548767
3,4-dimethoxy-N-[(1S)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 1321917
N-[(1S)-1-(benzylamino)-2,2,2-trichloroethyl]-3,4-dimethoxybenzamide
CID 1350071
2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381280
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
3-N-(4-chlorophenyl)-4-methoxy-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 59265083
butyl 4-[[2,2,2-trichloro-1-[(3,4-dimethoxybenzoyl)amino]ethyl]carbamothioylamino]benzoate
CID 4560745
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
2-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
CID 7060127
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide (CID 2887409) is 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide is COc1ccc(C(=O)NC(Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide?
The InChIKey is WESKIWYHQZEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl4N2O3/c1-25-13-8-3-10(9-14(13)26-2)15(24)23-16(17(19,20)21)22-12-6-4-11(18)5-7-12/h3-9,16,22H,1-2H3,(H,23,24).
What are the key properties of 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide?
3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide has a molecular weight of 438.14 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide is sourced from PubChem (CID 2887409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).