N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

C30H26BrN3O5 — CID 3124002

IUPACN-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C30H26BrN3O5/c1-39-22-16-12-20(13-17-22)28(36)32-25-8-4-2-6-23(25)29(37)34-27(18-19-10-14-21(35)15-11-19)30(38)33-26-9-5-3-7-24(26)31/h2-17,27,35H,18H2,1H3,(H,32,36)(H,33,38)(H,34,37)
InChIKeyYWMKCRDDIJYCFN-UHFFFAOYSA-N
MW588.46 g/mol
LogP5.40
Rot. Bonds9

About N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 3124002) has the molecular formula C30H26BrN3O5 and a molecular weight of 588.46 g/mol. Its IUPAC name is N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID3124002
Molecular FormulaC30H26BrN3O5
Molecular Weight588.46 g/mol
Exact Mass587.11
IUPAC NameN-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C30H26BrN3O5/c1-39-22-16-12-20(13-17-22)28(36)32-25-8-4-2-6-23(25)29(37)34-27(18-19-10-14-21(35)15-11-19)30(38)33-26-9-5-3-7-24(26)31/h2-17,27,35H,18H2,1H3,(H,32,36)(H,33,38)(H,34,37)
InChIKeyYWMKCRDDIJYCFN-UHFFFAOYSA-N
XLogP5.40
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.46
LogP ≤ 55.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide with MolForge

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Related Compounds

N-[3-(4-hydroxyphenyl)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 3123999
N-[(2R)-3-(4-hydroxyphenyl)-1-(3-methylanilino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112073
2-benzamido-N-[(2S)-1-(2-bromoanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 2173066
N-[(2S)-1-(cycloheptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112068
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
(2S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 7828591
2-benzamido-N-[(2S)-1-(3-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 1340046
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 3124002) is N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccc(O)cc2)C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is YWMKCRDDIJYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BrN3O5/c1-39-22-16-12-20(13-17-22)28(36)32-25-8-4-2-6-23(25)29(37)34-27(18-19-10-14-21(35)15-11-19)30(38)33-26-9-5-3-7-24(26)31/h2-17,27,35H,18H2,1H3,(H,32,36)(H,33,38)(H,34,37).
What are the key properties of N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 588.46 g/mol, XLogP of 5.40, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromoanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 3124002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).