N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

C25H20ClN3O3 — CID 46386454

IUPACN-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O3/c1-31-21-3-2-4-22(15-21)32-23-13-14-27-24(29-23)18-7-9-19(10-8-18)25(30)28-16-17-5-11-20(26)12-6-17/h2-15H,16H2,1H3,(H,28,30)
InChIKeyINVXDWXEUIUTGP-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.53
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide

N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide (PubChem CID 46386454) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
PubChem CID46386454
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
SMILESCOc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1
InChIInChI=1S/C25H20ClN3O3/c1-31-21-3-2-4-22(15-21)32-23-13-14-27-24(29-23)18-7-9-19(10-8-18)25(30)28-16-17-5-11-20(26)12-6-17/h2-15H,16H2,1H3,(H,28,30)
InChIKeyINVXDWXEUIUTGP-UHFFFAOYSA-N
XLogP5.53
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439
3-[2-(4-methylphenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46388837
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
N-[(2,5-dimethoxyphenyl)methyl]-4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53011487
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide (CID 46386454) is N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide is COc1cccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)n2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
The InChIKey is INVXDWXEUIUTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c1-31-21-3-2-4-22(15-21)32-23-13-14-27-24(29-23)18-7-9-19(10-8-18)25(30)28-16-17-5-11-20(26)12-6-17/h2-15H,16H2,1H3,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide?
N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 46386454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).