2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide

C18H19BrClN3O2 — CID 24583347

IUPAC2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(Br)c1
InChIInChI=1S/C18H19BrClN3O2/c1-11-6-7-16(13(19)8-11)21-9-17(24)22-10-18(25)23-15-5-3-4-14(20)12(15)2/h3-8,21H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJKYINEUEFWJSSS-UHFFFAOYSA-N
MW424.73 g/mol
LogP3.89
Rot. Bonds6

About 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide

2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide (PubChem CID 24583347) has the molecular formula C18H19BrClN3O2 and a molecular weight of 424.73 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
PubChem CID24583347
Molecular FormulaC18H19BrClN3O2
Molecular Weight424.73 g/mol
Exact Mass423.03
IUPAC Name2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(Br)c1
InChIInChI=1S/C18H19BrClN3O2/c1-11-6-7-16(13(19)8-11)21-9-17(24)22-10-18(25)23-15-5-3-4-14(20)12(15)2/h3-8,21H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJKYINEUEFWJSSS-UHFFFAOYSA-N
XLogP3.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.73
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
2-(2-bromo-4-methylanilino)-N-(2-tert-butylphenyl)acetamide
CID 109008239
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(3,5-difluoroanilino)acetamide
CID 24562351
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2-bromo-4-methylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 2707551
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
2-(5-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 2541105

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide (CID 24583347) is 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NCC(=O)NCC(=O)Nc2cccc(Cl)c2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is JKYINEUEFWJSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O2/c1-11-6-7-16(13(19)8-11)21-9-17(24)22-10-18(25)23-15-5-3-4-14(20)12(15)2/h3-8,21H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide?
2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 424.73 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 24583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).