4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

C19H16ClN3O2 — CID 122262337

IUPAC4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-25-17-8-4-13(5-9-17)18-10-16(22-12-23-18)11-21-19(24)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyBCZIHFOPGPDPMP-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.74
Rot. Bonds5

About 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (PubChem CID 122262337) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
PubChem CID122262337
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3ccc(Cl)cc3)ncn2)cc1
InChIInChI=1S/C19H16ClN3O2/c1-25-17-8-4-13(5-9-17)18-10-16(22-12-23-18)11-21-19(24)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyBCZIHFOPGPDPMP-UHFFFAOYSA-N
XLogP3.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262271
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122262407
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122262550
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 122262490
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-methyl-3-nitrobenzamide
CID 122262254
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-nitrobenzamide
CID 122262274
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (CID 122262337) is 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is COc1ccc(-c2cc(CNC(=O)c3ccc(Cl)cc3)ncn2)cc1.
What is the InChIKey of 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The InChIKey is BCZIHFOPGPDPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-17-8-4-13(5-9-17)18-10-16(22-12-23-18)11-21-19(24)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122262337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).