N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide

C25H21N3O3 — CID 5018775

IUPACN-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
SMILESCOc1cc(OC)nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H21N3O3/c1-30-22-16-23(31-2)28-24(27-22)20-9-6-10-21(15-20)26-25(29)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,26,29)
InChIKeyHHKOQIGZFMWFAA-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.08
Rot. Bonds6

About N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide

N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide (PubChem CID 5018775) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
PubChem CID5018775
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
SMILESCOc1cc(OC)nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)n1
InChIInChI=1S/C25H21N3O3/c1-30-22-16-23(31-2)28-24(27-22)20-9-6-10-21(15-20)26-25(29)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,26,29)
InChIKeyHHKOQIGZFMWFAA-UHFFFAOYSA-N
XLogP5.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (E)-2-[3-(4,6-dimethoxypyrimidin-2-yl)anilino]but-2-enedioate
CID 168570535
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-phenylbenzamide
CID 3125064
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide (CID 5018775) is N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide is COc1cc(OC)nc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)n1.
What is the InChIKey of N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide?
The InChIKey is HHKOQIGZFMWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-22-16-23(31-2)28-24(27-22)20-9-6-10-21(15-20)26-25(29)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,26,29).
What are the key properties of N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide?
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide has a molecular weight of 411.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 5018775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).