2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

C19H15Cl2N3O2 — CID 122262271

IUPAC2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3cc(Cl)ccc3Cl)ncn2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-12(3-6-15)18-9-14(23-11-24-18)10-22-19(25)16-8-13(20)4-7-17(16)21/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyZITKUNGNFJBHMU-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.39
Rot. Bonds5

About 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (PubChem CID 122262271) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
PubChem CID122262271
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3cc(Cl)ccc3Cl)ncn2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-12(3-6-15)18-9-14(23-11-24-18)10-22-19(25)16-8-13(20)4-7-17(16)21/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyZITKUNGNFJBHMU-UHFFFAOYSA-N
XLogP4.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122262407
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122262550

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (CID 122262271) is 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is COc1ccc(-c2cc(CNC(=O)c3cc(Cl)ccc3Cl)ncn2)cc1.
What is the InChIKey of 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The InChIKey is ZITKUNGNFJBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-15-5-2-12(3-6-15)18-9-14(23-11-24-18)10-22-19(25)16-8-13(20)4-7-17(16)21/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide has a molecular weight of 388.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122262271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).