3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

C20H24ClN3O3 — CID 54819393

IUPAC3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C20H24ClN3O3/c1-14-7-8-16(21)12-18(14)23-13-19(25)24-17-6-3-5-15(11-17)20(26)22-9-4-10-27-2/h3,5-8,11-12,23H,4,9-10,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyIUDDFKCJNSYNDX-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.47
Rot. Bonds9

About 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide

3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54819393) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54819393
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1
InChIInChI=1S/C20H24ClN3O3/c1-14-7-8-16(21)12-18(14)23-13-19(25)24-17-6-3-5-15(11-17)20(26)22-9-4-10-27-2/h3,5-8,11-12,23H,4,9-10,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyIUDDFKCJNSYNDX-UHFFFAOYSA-N
XLogP3.47
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.47
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

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-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842310
3-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836164
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
N-butan-2-yl-3-[[2-(5-chloro-2-methylanilino)acetyl]amino]benzamide
CID 54819366
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160030

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide (CID 54819393) is 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2C)c1.
What is the InChIKey of 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is IUDDFKCJNSYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-7-8-16(21)12-18(14)23-13-19(25)24-17-6-3-5-15(11-17)20(26)22-9-4-10-27-2/h3,5-8,11-12,23H,4,9-10,13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide?
3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide has a molecular weight of 389.88 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-methylanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54819393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).