3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C19H22FN3O3 — CID 54842410

IUPAC3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O3/c1-26-11-5-10-21-19(25)14-6-4-7-15(12-14)22-13-18(24)23-17-9-3-2-8-16(17)20/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyQIIIALIZTVCUMO-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.64
Rot. Bonds9

About 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54842410) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54842410
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H22FN3O3/c1-26-11-5-10-21-19(25)14-6-4-7-15(12-14)22-13-18(24)23-17-9-3-2-8-16(17)20/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,21,25)(H,23,24)
InChIKeyQIIIALIZTVCUMO-UHFFFAOYSA-N
XLogP2.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.64
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-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836295
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54819393
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54842410) is 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is QIIIALIZTVCUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-26-11-5-10-21-19(25)14-6-4-7-15(12-14)22-13-18(24)23-17-9-3-2-8-16(17)20/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 359.40 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54842410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).