3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

C18H13Cl2N3O — CID 122261935

IUPAC3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H13Cl2N3O/c19-14-6-13(7-15(20)8-14)18(24)21-10-16-9-17(23-11-22-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,24)
InChIKeyPZYCCSCDWJKMPV-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.38
Rot. Bonds4

About 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide

3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122261935) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
PubChem CID122261935
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H13Cl2N3O/c19-14-6-13(7-15(20)8-14)18(24)21-10-16-9-17(23-11-22-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,24)
InChIKeyPZYCCSCDWJKMPV-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
4-chloro-3-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261964
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
1-(3-chlorophenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262101
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122262059
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
2-chloro-5-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261794
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide (CID 122261935) is 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is PZYCCSCDWJKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-14-6-13(7-15(20)8-14)18(24)21-10-16-9-17(23-11-22-16)12-4-2-1-3-5-12/h1-9,11H,10H2,(H,21,24).
What are the key properties of 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide?
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 358.23 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122261935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).