N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide

C23H13Cl3FN3O — CID 10322602

IUPACN-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C23H13Cl3FN3O/c24-15-5-1-13(2-6-15)19-12-28-23(30-22(31)14-3-8-17(27)9-4-14)29-21(19)18-10-7-16(25)11-20(18)26/h1-12H,(H,28,29,30,31)
InChIKeyLQTTVHNETXEXBI-UHFFFAOYSA-N
MW472.73 g/mol
LogP7.16
Rot. Bonds4

About N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide

N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide (PubChem CID 10322602) has the molecular formula C23H13Cl3FN3O and a molecular weight of 472.73 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide
PubChem CID10322602
Molecular FormulaC23H13Cl3FN3O
Molecular Weight472.73 g/mol
Exact Mass471.01
IUPAC NameN-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C23H13Cl3FN3O/c24-15-5-1-13(2-6-15)19-12-28-23(30-22(31)14-3-8-17(27)9-4-14)29-21(19)18-10-7-16(25)11-20(18)26/h1-12H,(H,28,29,30,31)
InChIKeyLQTTVHNETXEXBI-UHFFFAOYSA-N
XLogP7.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.73
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide 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-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-(2,4-dichlorophenyl)-2-(2,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109270543
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-[(3-fluorophenyl)methoxy]pyrimidine
CID 59753910
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889
4-chloro-N-[6-(2,4-dichloroanilino)-3-pyridinyl]benzamide
CID 113022233

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide (CID 10322602) is N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide is O=C(Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide?
The InChIKey is LQTTVHNETXEXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3FN3O/c24-15-5-1-13(2-6-15)19-12-28-23(30-22(31)14-3-8-17(27)9-4-14)29-21(19)18-10-7-16(25)11-20(18)26/h1-12H,(H,28,29,30,31).
What are the key properties of N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide?
N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide has a molecular weight of 472.73 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 10322602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).