N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

C15H19Cl2N3O3 — CID 36930188

IUPACN-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCCCCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-2-3-6-18-13(21)8-19-14(22)9-20-15(23)11-5-4-10(16)7-12(11)17/h4-5,7H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNDZCOYIMJLJTJJ-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide

N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (PubChem CID 36930188) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
PubChem CID36930188
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC NameN-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
SMILESCCCCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-2-3-6-18-13(21)8-19-14(22)9-20-15(23)11-5-4-10(16)7-12(11)17/h4-5,7H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNDZCOYIMJLJTJJ-UHFFFAOYSA-N
XLogP1.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-nonylbenzamide
CID 3596264
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
2,4-dichloro-N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]benzamide
CID 111483370
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-[2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2604241
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
2,4-dichloro-N-[2-[[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 46673965
2,4-dichloro-N-[2-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 17492032
N-[2-[[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 22108871
2,4-dichloro-N-[2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 31265818

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide (CID 36930188) is N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is CCCCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
The InChIKey is NDZCOYIMJLJTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-2-3-6-18-13(21)8-19-14(22)9-20-15(23)11-5-4-10(16)7-12(11)17/h4-5,7H,2-3,6,8-9H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide?
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide has a molecular weight of 360.24 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 36930188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).