2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide

C18H20BrN3O2 — CID 9252643

IUPAC2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-13-6-5-7-14(10-13)20-17(23)11-22(2)12-18(24)21-16-9-4-3-8-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIFLUPSCJYFBMFB-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.27
Rot. Bonds6

About 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 9252643) has the molecular formula C18H20BrN3O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
PubChem CID9252643
Molecular FormulaC18H20BrN3O2
Molecular Weight390.28 g/mol
Exact Mass389.07
IUPAC Name2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H20BrN3O2/c1-13-6-5-7-14(10-13)20-17(23)11-22(2)12-18(24)21-16-9-4-3-8-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyIFLUPSCJYFBMFB-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(2-bromophenyl)-3-(3-methylanilino)propanamide
CID 109034300
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
N-(2-bromophenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9252567
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 55997836
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide (CID 9252643) is 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is IFLUPSCJYFBMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2/c1-13-6-5-7-14(10-13)20-17(23)11-22(2)12-18(24)21-16-9-4-3-8-15(16)19/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide?
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 390.28 g/mol, XLogP of 3.27, 6 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]-methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9252643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).