4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide

C23H26ClNO3 — CID 100685329

IUPAC4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C23H26ClNO3/c24-18-7-5-17(6-8-18)23(13-15-27-16-14-23)22(26)25-19-9-11-21(12-10-19)28-20-3-1-2-4-20/h5-12,20H,1-4,13-16H2,(H,25,26)
InChIKeyUYMXZHRVDCPNRU-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.35
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide

4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide (PubChem CID 100685329) has the molecular formula C23H26ClNO3 and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
PubChem CID100685329
Molecular FormulaC23H26ClNO3
Molecular Weight399.92 g/mol
Exact Mass399.16
IUPAC Name4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide
SMILESO=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C23H26ClNO3/c24-18-7-5-17(6-8-18)23(13-15-27-16-14-23)22(26)25-19-9-11-21(12-10-19)28-20-3-1-2-4-20/h5-12,20H,1-4,13-16H2,(H,25,26)
InChIKeyUYMXZHRVDCPNRU-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]oxane-4-carboxamide
CID 100781359
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
1-(4-chlorophenyl)-N-[4-(thietan-3-yloxy)phenyl]cyclohexane-1-carboxamide
CID 100781332
4-(aminomethyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide;hydrochloride
CID 120923003
4-(4-chlorophenyl)-N-(4-prop-2-enoxyphenyl)oxane-4-carboxamide
CID 100781339
4-(4-chlorophenyl)-N-[4-(2-ethoxyethoxy)phenyl]oxane-4-carboxamide
CID 100685761
4-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 60582492
4-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)oxane-4-carboxamide
CID 71937459
1-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethoxy)phenyl]cyclopentane-1-carboxamide
CID 100665527
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide (CID 100685329) is 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide is O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide?
The InChIKey is UYMXZHRVDCPNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO3/c24-18-7-5-17(6-8-18)23(13-15-27-16-14-23)22(26)25-19-9-11-21(12-10-19)28-20-3-1-2-4-20/h5-12,20H,1-4,13-16H2,(H,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide?
4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-cyclopentyloxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100685329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).