N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide

C26H20BrClN4O4 — CID 167890331

IUPACN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(C(NC(=O)C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20BrClN4O4/c1-35-21-11-7-17(8-12-21)23(16-5-9-19(28)10-6-16)32-25(34)24(33)31-20-3-2-4-22(13-20)36-26-29-14-18(27)15-30-26/h2-15,23H,1H3,(H,31,33)(H,32,34)
InChIKeyNWZXMXNQYWPPPU-UHFFFAOYSA-N
MW567.83 g/mol
LogP5.54
Rot. Bonds7

About N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide

N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide (PubChem CID 167890331) has the molecular formula C26H20BrClN4O4 and a molecular weight of 567.83 g/mol. Its IUPAC name is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide
PubChem CID167890331
Molecular FormulaC26H20BrClN4O4
Molecular Weight567.83 g/mol
Exact Mass566.04
IUPAC NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(C(NC(=O)C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H20BrClN4O4/c1-35-21-11-7-17(8-12-21)23(16-5-9-19(28)10-6-16)32-25(34)24(33)31-20-3-2-4-22(13-20)36-26-29-14-18(27)15-30-26/h2-15,23H,1H3,(H,31,33)(H,32,34)
InChIKeyNWZXMXNQYWPPPU-UHFFFAOYSA-N
XLogP5.54
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.83
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 154805235
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 28814790
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
2-(4-chlorophenyl)-N-(3-pyrimidin-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 166208502
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
1-[3-[(2-amino-5-chloro-3-pyridinyl)oxy]phenyl]-3-(4-methoxyphenyl)urea
CID 139489185

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide (CID 167890331) is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide is COc1ccc(C(NC(=O)C(=O)Nc2cccc(Oc3ncc(Br)cn3)c2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide?
The InChIKey is NWZXMXNQYWPPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrClN4O4/c1-35-21-11-7-17(8-12-21)23(16-5-9-19(28)10-6-16)32-25(34)24(33)31-20-3-2-4-22(13-20)36-26-29-14-18(27)15-30-26/h2-15,23H,1H3,(H,31,33)(H,32,34).
What are the key properties of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide?
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide has a molecular weight of 567.83 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-N'-[(4-chlorophenyl)-(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 167890331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).