3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide

C25H24Br2N2O4 — CID 18890057

IUPAC3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(Br)c2)NC(=O)c2cccc(Br)c2)cc1OC(C)C
InChIInChI=1S/C25H24Br2N2O4/c1-15(2)33-22-14-16(10-11-21(22)32-3)23(28-24(30)17-6-4-8-19(26)12-17)29-25(31)18-7-5-9-20(27)13-18/h4-15,23H,1-3H3,(H,28,30)(H,29,31)
InChIKeyBWYPCKCCOXXURH-UHFFFAOYSA-N
MW576.29 g/mol
LogP5.87
Rot. Bonds8

About 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide

3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 18890057) has the molecular formula C25H24Br2N2O4 and a molecular weight of 576.29 g/mol. Its IUPAC name is 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID18890057
Molecular FormulaC25H24Br2N2O4
Molecular Weight576.29 g/mol
Exact Mass574.01
IUPAC Name3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(Br)c2)NC(=O)c2cccc(Br)c2)cc1OC(C)C
InChIInChI=1S/C25H24Br2N2O4/c1-15(2)33-22-14-16(10-11-21(22)32-3)23(28-24(30)17-6-4-8-19(26)12-17)29-25(31)18-7-5-9-20(27)13-18/h4-15,23H,1-3H3,(H,28,30)(H,29,31)
InChIKeyBWYPCKCCOXXURH-UHFFFAOYSA-N
XLogP5.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.29
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[(3-bromobenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839413
N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
CID 18890052
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-heptoxy-3-methoxyphenyl)methyl]benzamide
CID 5209327
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxyphenyl)methyl]benzamide
CID 2526949
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide
CID 18890069
3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839415
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
3-bromo-N-[1-(3-bromophenyl)ethyl]-4-methoxybenzamide
CID 46585346
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18890095
2-iodo-N-[[(2-iodoacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153649

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide (CID 18890057) is 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide is COc1ccc(C(NC(=O)c2cccc(Br)c2)NC(=O)c2cccc(Br)c2)cc1OC(C)C.
What is the InChIKey of 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is BWYPCKCCOXXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Br2N2O4/c1-15(2)33-22-14-16(10-11-21(22)32-3)23(28-24(30)17-6-4-8-19(26)12-17)29-25(31)18-7-5-9-20(27)13-18/h4-15,23H,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 576.29 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 18890057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).