N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide

C25H20ClN3O2 — CID 53119795

IUPACN-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O2/c1-17-3-2-4-20(15-17)24-27-14-13-23(29-24)31-22-11-7-19(8-12-22)25(30)28-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyVVVBKGXQZKNRKK-UHFFFAOYSA-N
MW429.91 g/mol
LogP5.83
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide

N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53119795) has the molecular formula C25H20ClN3O2 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53119795
Molecular FormulaC25H20ClN3O2
Molecular Weight429.91 g/mol
Exact Mass429.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
SMILESCc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O2/c1-17-3-2-4-20(15-17)24-27-14-13-23(29-24)31-22-11-7-19(8-12-22)25(30)28-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,28,30)
InChIKeyVVVBKGXQZKNRKK-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-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
N-butan-2-yl-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 83277133
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
CID 56724091
3-[2-(3-methylphenyl)pyrimidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 46388743
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53077994
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide (CID 53119795) is N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide is Cc1cccc(-c2nccc(Oc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is VVVBKGXQZKNRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2/c1-17-3-2-4-20(15-17)24-27-14-13-23(29-24)31-22-11-7-19(8-12-22)25(30)28-16-18-5-9-21(26)10-6-18/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide?
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-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-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53119795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).