N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

C20H22F3N3O3 — CID 54833624

IUPACN-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-29-11-3-10-24-19(28)14-6-8-16(9-7-14)26-18(27)13-25-17-5-2-4-15(12-17)20(21,22)23/h2,4-9,12,25H,3,10-11,13H2,1H3,(H,24,28)(H,26,27)
InChIKeySRYCLYDZXROWRO-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.52
Rot. Bonds9

About N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide

N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (PubChem CID 54833624) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
PubChem CID54833624
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3N3O3/c1-29-11-3-10-24-19(28)14-6-8-16(9-7-14)26-18(27)13-25-17-5-2-4-15(12-17)20(21,22)23/h2,4-9,12,25H,3,10-11,13H2,1H3,(H,24,28)(H,26,27)
InChIKeySRYCLYDZXROWRO-UHFFFAOYSA-N
XLogP3.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833684
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
4-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54830495
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837360
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
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide (CID 54833624) is N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is COCCCNC(=O)c1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
The InChIKey is SRYCLYDZXROWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-29-11-3-10-24-19(28)14-6-8-16(9-7-14)26-18(27)13-25-17-5-2-4-15(12-17)20(21,22)23/h2,4-9,12,25H,3,10-11,13H2,1H3,(H,24,28)(H,26,27).
What are the key properties of N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide?
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide has a molecular weight of 409.41 g/mol, XLogP of 3.52, 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-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54833624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).