N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide

C19H16ClFN4O — CID 109264772

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H16ClFN4O/c20-15-3-1-2-13(10-15)8-9-22-18(26)14-11-23-19(24-12-14)25-17-6-4-16(21)5-7-17/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyQQHADVDYILHQFK-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109264772) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109264772
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C19H16ClFN4O/c20-15-3-1-2-13(10-15)8-9-22-18(26)14-11-23-19(24-12-14)25-17-6-4-16(21)5-7-17/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyQQHADVDYILHQFK-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)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

2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
methyl 4-[[5-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109260089
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
N-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46807280
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
N-(3,5-dichlorophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268578

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide (CID 109264772) is N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is QQHADVDYILHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-15-3-1-2-13(10-15)8-9-22-18(26)14-11-23-19(24-12-14)25-17-6-4-16(21)5-7-17/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109264772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).