N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide

C25H26BrN3O2 — CID 16561679

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26BrN3O2/c1-18-14-21(26)12-13-22(18)29-25(31)17-28-24(30)16-27-23(20-10-6-3-7-11-20)15-19-8-4-2-5-9-19/h2-14,23,27H,15-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyBVBBFHNFNDRTPK-UHFFFAOYSA-N
MW480.41 g/mol
LogP4.39
Rot. Bonds9

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide (PubChem CID 16561679) has the molecular formula C25H26BrN3O2 and a molecular weight of 480.41 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide
PubChem CID16561679
Molecular FormulaC25H26BrN3O2
Molecular Weight480.41 g/mol
Exact Mass479.12
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H26BrN3O2/c1-18-14-21(26)12-13-22(18)29-25(31)17-28-24(30)16-27-23(20-10-6-3-7-11-20)15-19-8-4-2-5-9-19/h2-14,23,27H,15-17H2,1H3,(H,28,30)(H,29,31)
InChIKeyBVBBFHNFNDRTPK-UHFFFAOYSA-N
XLogP4.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654
N-(4-bromo-2-methylphenyl)-2-[[(S)-cyclopropyl(phenyl)methyl]carbamoylamino]acetamide
CID 41285988
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
CID 55704272
(2S)-2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 71569333
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34400540
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide (CID 16561679) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide?
The InChIKey is BVBBFHNFNDRTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O2/c1-18-14-21(26)12-13-22(18)29-25(31)17-28-24(30)16-27-23(20-10-6-3-7-11-20)15-19-8-4-2-5-9-19/h2-14,23,27H,15-17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide has a molecular weight of 480.41 g/mol, XLogP of 4.39, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide is sourced from PubChem (CID 16561679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).