N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

C25H20ClN3O2 — CID 46388913

IUPACN-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1
InChIInChI=1S/C25H20ClN3O2/c1-17-6-2-4-8-22(17)20-15-28-25(29-16-20)31-21-12-10-18(11-13-21)24(30)27-14-19-7-3-5-9-23(19)26/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyJSNRDISFQFPGEQ-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.83
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 46388913) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
PubChem CID46388913
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1
InChIInChI=1S/C25H20ClN3O2/c1-17-6-2-4-8-22(17)20-15-28-25(29-16-20)31-21-12-10-18(11-13-21)24(30)27-14-19-7-3-5-9-23(19)26/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyJSNRDISFQFPGEQ-UHFFFAOYSA-N
XLogP5.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.91
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 92883150
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
N-[(2-chlorophenyl)methyl]-4-(3-phenylsulfanylpyrazin-2-yl)oxybenzamide
CID 46389691
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
N-[(2-chlorophenyl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037569
N-[(2-chlorophenyl)methyl]-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078243
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (CID 46388913) is N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is Cc1ccccc1-c1cnc(Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is JSNRDISFQFPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-17-6-2-4-8-22(17)20-15-28-25(29-16-20)31-21-12-10-18(11-13-21)24(30)27-14-19-7-3-5-9-23(19)26/h2-13,15-16H,14H2,1H3,(H,27,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide has a molecular weight of 429.91 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 46388913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).