N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide

C19H17N3O2 — CID 122301792

IUPACN-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C19H17N3O2/c1-2-24-19-20-12-17(13-21-19)22-18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyRNBTYDDYLHRZHR-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.79
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide

N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide (PubChem CID 122301792) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
PubChem CID122301792
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide
SMILESCCOc1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C19H17N3O2/c1-2-24-19-20-12-17(13-21-19)22-18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23)
InChIKeyRNBTYDDYLHRZHR-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
3-(dimethylamino)-N-(2-ethoxypyrimidin-5-yl)benzamide
CID 122301989
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
4-ethoxy-3-methoxy-N-(4-phenylphenyl)benzamide
CID 8880847
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide (CID 122301792) is N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide is CCOc1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide?
The InChIKey is RNBTYDDYLHRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-24-19-20-12-17(13-21-19)22-18(23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,22,23).
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide?
N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-4-phenylbenzamide is sourced from PubChem (CID 122301792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).