N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

C25H24BrN3O3 — CID 17490654

IUPACN-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24BrN3O3/c1-17-14-20(26)12-13-21(17)28-23(30)16-27-25(32)22(15-18-8-4-2-5-9-18)29-24(31)19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyJQNAANUAXCJJFR-UHFFFAOYSA-N
MW494.39 g/mol
LogP3.85
Rot. Bonds8

About N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 17490654) has the molecular formula C25H24BrN3O3 and a molecular weight of 494.39 g/mol. Its IUPAC name is N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID17490654
Molecular FormulaC25H24BrN3O3
Molecular Weight494.39 g/mol
Exact Mass493.10
IUPAC NameN-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C25H24BrN3O3/c1-17-14-20(26)12-13-21(17)28-23(30)16-27-25(32)22(15-18-8-4-2-5-9-18)29-24(31)19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyJQNAANUAXCJJFR-UHFFFAOYSA-N
XLogP3.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide 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-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 41320207
(2S)-2-[(4-bromo-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 71569333
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(1,2-diphenylethylamino)acetamide
CID 16561679
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
methyl (2S)-2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 2079908
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]-3-bromobenzamide
CID 4990800

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 17490654) is N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is JQNAANUAXCJJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3/c1-17-14-20(26)12-13-21(17)28-23(30)16-27-25(32)22(15-18-8-4-2-5-9-18)29-24(31)19-10-6-3-7-11-19/h2-14,22H,15-16H2,1H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 494.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 17490654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).