N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide

C19H20Cl3N3O3 — CID 54816310

IUPACN-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl3N3O3/c1-28-8-2-7-23-19(27)12-3-5-13(6-4-12)25-18(26)11-24-17-10-15(21)14(20)9-16(17)22/h3-6,9-10,24H,2,7-8,11H2,1H3,(H,23,27)(H,25,26)
InChIKeyJAZCHKJTZIHXGH-UHFFFAOYSA-N
MW444.75 g/mol
LogP4.46
Rot. Bonds9

About N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide (PubChem CID 54816310) has the molecular formula C19H20Cl3N3O3 and a molecular weight of 444.75 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
PubChem CID54816310
Molecular FormulaC19H20Cl3N3O3
Molecular Weight444.75 g/mol
Exact Mass443.06
IUPAC NameN-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C19H20Cl3N3O3/c1-28-8-2-7-23-19(27)12-3-5-13(6-4-12)25-18(26)11-24-17-10-15(21)14(20)9-16(17)22/h3-6,9-10,24H,2,7-8,11H2,1H3,(H,23,27)(H,25,26)
InChIKeyJAZCHKJTZIHXGH-UHFFFAOYSA-N
XLogP4.46
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.75
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(2,4-dimethylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54811419
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835595
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
N-(4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816512
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide (CID 54816310) is N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)CNc2cc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide?
The InChIKey is JAZCHKJTZIHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3/c1-28-8-2-7-23-19(27)12-3-5-13(6-4-12)25-18(26)11-24-17-10-15(21)14(20)9-16(17)22/h3-6,9-10,24H,2,7-8,11H2,1H3,(H,23,27)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide has a molecular weight of 444.75 g/mol, XLogP of 4.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54816310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).