N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide

C19H16ClN3O5 — CID 175746842

IUPACN-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncnc(Oc3ccc(O)cc3)c2Cl)cc1OC
InChIInChI=1S/C19H16ClN3O5/c1-26-14-8-3-11(9-15(14)27-2)18(25)23-17-16(20)19(22-10-21-17)28-13-6-4-12(24)5-7-13/h3-10,24H,1-2H3,(H,21,22,23,25)
InChIKeyMAPQTEYSYCFUID-UHFFFAOYSA-N
MW401.81 g/mol
LogP3.90
Rot. Bonds6

About N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide

N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 175746842) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID175746842
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC NameN-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ncnc(Oc3ccc(O)cc3)c2Cl)cc1OC
InChIInChI=1S/C19H16ClN3O5/c1-26-14-8-3-11(9-15(14)27-2)18(25)23-17-16(20)19(22-10-21-17)28-13-6-4-12(24)5-7-13/h3-10,24H,1-2H3,(H,21,22,23,25)
InChIKeyMAPQTEYSYCFUID-UHFFFAOYSA-N
XLogP3.90
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3-methylbut-2-enamide
CID 175746808
N-[5-chloro-6-(2-fluorophenoxy)pyrimidin-4-yl]-3,4-difluorobenzamide
CID 175725003
N-(6,7-dimethoxyquinazolin-4-yl)-3-hydroxybenzamide
CID 174885558
3,4-dimethoxy-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5228987
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3,4-dimethoxy-N-(4-pyridin-3-yloxyphenyl)benzamide
CID 90643074
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 3910119
N'-[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151807
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
4-methoxy-3-phenoxy-N-phenylbenzamide
CID 18626251
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide
CID 19409221
N'-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536493

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide (CID 175746842) is N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ncnc(Oc3ccc(O)cc3)c2Cl)cc1OC.
What is the InChIKey of N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is MAPQTEYSYCFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-26-14-8-3-11(9-15(14)27-2)18(25)23-17-16(20)19(22-10-21-17)28-13-6-4-12(24)5-7-13/h3-10,24H,1-2H3,(H,21,22,23,25).
What are the key properties of N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide?
N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 401.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(4-hydroxyphenoxy)pyrimidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 175746842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).