N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

C25H20ClN3O4 — CID 46386575

IUPACN-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(-c2nccc(Oc3ccccc3OC)n2)c1
InChIInChI=1S/C25H20ClN3O4/c1-31-20-11-10-18(26)15-19(20)28-25(30)17-7-5-6-16(14-17)24-27-13-12-23(29-24)33-22-9-4-3-8-21(22)32-2/h3-15H,1-2H3,(H,28,30)
InChIKeyQMWMNMKNVNONJX-UHFFFAOYSA-N
MW461.91 g/mol
LogP5.86
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386575) has the molecular formula C25H20ClN3O4 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386575
Molecular FormulaC25H20ClN3O4
Molecular Weight461.91 g/mol
Exact Mass461.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(-c2nccc(Oc3ccccc3OC)n2)c1
InChIInChI=1S/C25H20ClN3O4/c1-31-20-11-10-18(26)15-19(20)28-25(30)17-7-5-6-16(14-17)24-27-13-12-23(29-24)33-22-9-4-3-8-21(22)32-2/h3-15H,1-2H3,(H,28,30)
InChIKeyQMWMNMKNVNONJX-UHFFFAOYSA-N
XLogP5.86
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.91
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-propan-2-ylbenzamide
CID 46386554
N-(5-chloro-2-methoxyphenyl)-4-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 53078360
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
N-(5-chloro-2-methoxyphenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176387
N-[4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl]-3,4-dimethoxybenzamide
CID 20896216
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057036
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386575) is N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1ccc(Cl)cc1NC(=O)c1cccc(-c2nccc(Oc3ccccc3OC)n2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is QMWMNMKNVNONJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O4/c1-31-20-11-10-18(26)15-19(20)28-25(30)17-7-5-6-16(14-17)24-27-13-12-23(29-24)33-22-9-4-3-8-21(22)32-2/h3-15H,1-2H3,(H,28,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 461.91 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).