N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide

C19H16ClN3O — CID 155542814

IUPACN-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H16ClN3O/c20-16-9-5-4-6-14(16)10-11-21-19(24)18-12-17(22-13-23-18)15-7-2-1-3-8-15/h1-9,12-13H,10-11H2,(H,21,24)
InChIKeyZTRMNJOOZMCDQY-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.77
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide

N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide (PubChem CID 155542814) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide
PubChem CID155542814
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C19H16ClN3O/c20-16-9-5-4-6-14(16)10-11-21-19(24)18-12-17(22-13-23-18)15-7-2-1-3-8-15/h1-9,12-13H,10-11H2,(H,21,24)
InChIKeyZTRMNJOOZMCDQY-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide (CID 155542814) is N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide is O=C(NCCc1ccccc1Cl)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide?
The InChIKey is ZTRMNJOOZMCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-16-9-5-4-6-14(16)10-11-21-19(24)18-12-17(22-13-23-18)15-7-2-1-3-8-15/h1-9,12-13H,10-11H2,(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-6-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 155542814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).