3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide

C23H20BrN3O3 — CID 60607763

IUPAC3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide
SMILESCc1c(NC(=O)CNC(=O)c2cccc(Br)c2)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H20BrN3O3/c1-15-19(23(30)26-18-9-3-2-4-10-18)11-6-12-20(15)27-21(28)14-25-22(29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDVUJIPPCZCEWFI-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.38
Rot. Bonds6

About 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide

3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide (PubChem CID 60607763) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide
PubChem CID60607763
Molecular FormulaC23H20BrN3O3
Molecular Weight466.34 g/mol
Exact Mass465.07
IUPAC Name3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide
SMILESCc1c(NC(=O)CNC(=O)c2cccc(Br)c2)cccc1C(=O)Nc1ccccc1
InChIInChI=1S/C23H20BrN3O3/c1-15-19(23(30)26-18-9-3-2-4-10-18)11-6-12-20(15)27-21(28)14-25-22(29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDVUJIPPCZCEWFI-UHFFFAOYSA-N
XLogP4.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
tert-butyl N-[2-[2-[(3-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917313
2-[[3-[(2-hydroxybenzoyl)amino]benzoyl]amino]acetic acid
CID 58944712
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
3-bromo-N-(3-hydroxy-2-methylphenyl)benzamide
CID 64793442
N-ethyl-3-[[2-[2-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 34078183

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide (CID 60607763) is 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide is Cc1c(NC(=O)CNC(=O)c2cccc(Br)c2)cccc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide?
The InChIKey is DVUJIPPCZCEWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-15-19(23(30)26-18-9-3-2-4-10-18)11-6-12-20(15)27-21(28)14-25-22(29)16-7-5-8-17(24)13-16/h2-13H,14H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide?
3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide has a molecular weight of 466.34 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 60607763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).