N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide

C21H23Cl2N3O3 — CID 134046490

IUPACN-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O3/c1-13(2)18(26-20(28)16-9-8-15(22)12-17(16)23)21(29)25-11-10-24-19(27)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyWNTPWYSMCMVJMV-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.29
Rot. Bonds8

About N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide

N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide (PubChem CID 134046490) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
PubChem CID134046490
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC NameN-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccccc1
InChIInChI=1S/C21H23Cl2N3O3/c1-13(2)18(26-20(28)16-9-8-15(22)12-17(16)23)21(29)25-11-10-24-19(27)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyWNTPWYSMCMVJMV-UHFFFAOYSA-N
XLogP3.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.29
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-[(2S)-1-[2-(furan-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24542551
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
N-[2-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]ethyl]-2-chlorobenzamide
CID 55659461
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2,4-dichloro-N-[(2S)-1-(3-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9042478
2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
2-chloro-N-[1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 4837433
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The IUPAC name of N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide (CID 134046490) is N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide is CC(C)C(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCNC(=O)c1ccccc1.
What is the InChIKey of N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
The InChIKey is WNTPWYSMCMVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-13(2)18(26-20(28)16-9-8-15(22)12-17(16)23)21(29)25-11-10-24-19(27)14-6-4-3-5-7-14/h3-9,12-13,18H,10-11H2,1-2H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide?
N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide has a molecular weight of 436.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzamidoethylamino)-3-methyl-1-oxobutan-2-yl]-2,4-dichlorobenzamide is sourced from PubChem (CID 134046490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).