3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide

C27H24FN5O2 — CID 46331171

IUPAC3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C27H24FN5O2/c28-21-6-4-19(5-7-21)26-29-13-12-25(32-26)30-23-3-1-2-20(18-23)27(34)31-22-8-10-24(11-9-22)33-14-16-35-17-15-33/h1-13,18H,14-17H2,(H,31,34)(H,29,30,32)
InChIKeyODXKLQWRILWTJM-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.12
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide

3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 46331171) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID46331171
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C27H24FN5O2/c28-21-6-4-19(5-7-21)26-29-13-12-25(32-26)30-23-3-1-2-20(18-23)27(34)31-22-8-10-24(11-9-22)33-14-16-35-17-15-33/h1-13,18H,14-17H2,(H,31,34)(H,29,30,32)
InChIKeyODXKLQWRILWTJM-UHFFFAOYSA-N
XLogP5.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide 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

3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
[3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 46331145
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 117093423
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide (CID 46331171) is 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is ODXKLQWRILWTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c28-21-6-4-19(5-7-21)26-29-13-12-25(32-26)30-23-3-1-2-20(18-23)27(34)31-22-8-10-24(11-9-22)33-14-16-35-17-15-33/h1-13,18H,14-17H2,(H,31,34)(H,29,30,32).
What are the key properties of 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide?
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 469.52 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 46331171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).