N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide

C22H22FN3O2 — CID 66635511

IUPACN-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(-c2cnc(OCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(26-16(2)27)11-17-3-7-19(8-4-17)20-12-24-22(25-13-20)28-14-18-5-9-21(23)10-6-18/h3-10,12-13,15H,11,14H2,1-2H3,(H,26,27)
InChIKeyDHOPHSFMBGUVCM-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.93
Rot. Bonds7

About N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide (PubChem CID 66635511) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
PubChem CID66635511
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(-c2cnc(OCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C22H22FN3O2/c1-15(26-16(2)27)11-17-3-7-19(8-4-17)20-12-24-22(25-13-20)28-14-18-5-9-21(23)10-6-18/h3-10,12-13,15H,11,14H2,1-2H3,(H,26,27)
InChIKeyDHOPHSFMBGUVCM-UHFFFAOYSA-N
XLogP3.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide 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

ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate
CID 88867278
N-[1-[4-[2-[2-(2-methoxyethoxy)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429585
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium
CID 175275365
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide (CID 66635511) is N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(-c2cnc(OCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
The InChIKey is DHOPHSFMBGUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15(26-16(2)27)11-17-3-7-19(8-4-17)20-12-24-22(25-13-20)28-14-18-5-9-21(23)10-6-18/h3-10,12-13,15H,11,14H2,1-2H3,(H,26,27).
What are the key properties of N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide has a molecular weight of 379.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66635511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).