4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

C21H26FN3O3 — CID 90634200

IUPAC4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C21H26FN3O3/c1-2-3-12-27-18-8-4-15(5-9-18)20(26)25-17-6-10-19(11-7-17)28-21-23-13-16(22)14-24-21/h4-5,8-9,13-14,17,19H,2-3,6-7,10-12H2,1H3,(H,25,26)
InChIKeyBZTXTBXTZCTGQF-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.91
Rot. Bonds8

About 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide

4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (PubChem CID 90634200) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
PubChem CID90634200
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C21H26FN3O3/c1-2-3-12-27-18-8-4-15(5-9-18)20(26)25-17-6-10-19(11-7-17)28-21-23-13-16(22)14-24-21/h4-5,8-9,13-14,17,19H,2-3,6-7,10-12H2,1H3,(H,25,26)
InChIKeyBZTXTBXTZCTGQF-UHFFFAOYSA-N
XLogP3.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]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

4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 90634270
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-phenylphenoxy)acetamide
CID 90634353
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
4-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]butanamide
CID 90634187
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
CID 90634235
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-difluorobenzamide
CID 90633706
5-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]furan-2-carboxamide
CID 91626383
2-bromo-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634210

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide (CID 90634200) is 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is CCCCOc1ccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
The InChIKey is BZTXTBXTZCTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-2-3-12-27-18-8-4-15(5-9-18)20(26)25-17-6-10-19(11-7-17)28-21-23-13-16(22)14-24-21/h4-5,8-9,13-14,17,19H,2-3,6-7,10-12H2,1H3,(H,25,26).
What are the key properties of 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide?
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide is sourced from PubChem (CID 90634200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).