2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide

C19H16ClFN4O — CID 109261462

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16ClFN4O/c20-15-7-5-13(6-8-15)9-10-22-19-23-11-14(12-24-19)18(26)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,25,26)(H,22,23,24)
InChIKeyPTLKVKGFWZOYLT-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.18
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide

2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109261462) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109261462
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1cnc(NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16ClFN4O/c20-15-7-5-13(6-8-15)9-10-22-19-23-11-14(12-24-19)18(26)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,25,26)(H,22,23,24)
InChIKeyPTLKVKGFWZOYLT-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide 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)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522
N-(4-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260157
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312
2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109261408
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide (CID 109261462) is 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1F)c1cnc(NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is PTLKVKGFWZOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-15-7-5-13(6-8-15)9-10-22-19-23-11-14(12-24-19)18(26)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,25,26)(H,22,23,24).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).