4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

C20H24ClN3O3 — CID 54835595

IUPAC4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H24ClN3O3/c1-14-17(21)5-3-6-18(14)24-19(25)13-23-16-9-7-15(8-10-16)20(26)22-11-4-12-27-2/h3,5-10,23H,4,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUUDHFFMBTUUNMB-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.47
Rot. Bonds9

About 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide

4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (PubChem CID 54835595) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
PubChem CID54835595
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C20H24ClN3O3/c1-14-17(21)5-3-6-18(14)24-19(25)13-23-16-9-7-15(8-10-16)20(26)22-11-4-12-27-2/h3,5-10,23H,4,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyUUDHFFMBTUUNMB-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

4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074
4-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836486
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
N-(3-methoxypropyl)-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54835570
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-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816310
N-(3-methoxypropyl)-3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842675
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55917932
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54815217

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide (CID 54835595) is 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
The InChIKey is UUDHFFMBTUUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-17(21)5-3-6-18(14)24-19(25)13-23-16-9-7-15(8-10-16)20(26)22-11-4-12-27-2/h3,5-10,23H,4,11-13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide?
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]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 4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54835595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).