2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

C19H20BrCl2N3O2 — CID 27246768

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H20BrCl2N3O2/c1-2-9-25(11-18(26)23-16-6-4-3-5-14(16)20)12-19(27)24-17-8-7-13(21)10-15(17)22/h3-8,10H,2,9,11-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyGZHGCDLBMFYUFH-UHFFFAOYSA-N
MW473.20 g/mol
LogP5.05
Rot. Bonds8

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 27246768) has the molecular formula C19H20BrCl2N3O2 and a molecular weight of 473.20 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
PubChem CID27246768
Molecular FormulaC19H20BrCl2N3O2
Molecular Weight473.20 g/mol
Exact Mass471.01
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H20BrCl2N3O2/c1-2-9-25(11-18(26)23-16-6-4-3-5-14(16)20)12-19(27)24-17-8-7-13(21)10-15(17)22/h3-8,10H,2,9,11-12H2,1H3,(H,23,26)(H,24,27)
InChIKeyGZHGCDLBMFYUFH-UHFFFAOYSA-N
XLogP5.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.20
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
CID 55354113
methyl 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]acetate
CID 61036321
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246805
2-[[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 60502016
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (CID 27246768) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is GZHGCDLBMFYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2N3O2/c1-2-9-25(11-18(26)23-16-6-4-3-5-14(16)20)12-19(27)24-17-8-7-13(21)10-15(17)22/h3-8,10H,2,9,11-12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 473.20 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 27246768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).