N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide

C19H16ClN3O2 — CID 56724091

IUPACN-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
SMILESCc1ccnc(Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C19H16ClN3O2/c1-13-10-11-21-19(23-13)25-17-8-4-15(5-9-17)18(24)22-12-14-2-6-16(20)7-3-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyLEOLQELUBPWRGM-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.16
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide

N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide (PubChem CID 56724091) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
PubChem CID56724091
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
SMILESCc1ccnc(Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C19H16ClN3O2/c1-13-10-11-21-19(23-13)25-17-8-4-15(5-9-17)18(24)22-12-14-2-6-16(20)7-3-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyLEOLQELUBPWRGM-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[2-(3-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119795
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
[4-[(4-chlorophenyl)methylcarbamoyl]phenyl] acetate
CID 4178891
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[(4-chlorophenyl)methyl]-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386454
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide (CID 56724091) is N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide is Cc1ccnc(Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide?
The InChIKey is LEOLQELUBPWRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-10-11-21-19(23-13)25-17-8-4-15(5-9-17)18(24)22-12-14-2-6-16(20)7-3-14/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide?
N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide has a molecular weight of 353.81 g/mol, XLogP of 4.16, 5 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-(4-methylpyrimidin-2-yl)oxybenzamide is sourced from PubChem (CID 56724091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).