7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide

C22H24ClNO5 — CID 163392736

IUPAC7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NOC1CCCCO1)C1CCc2ccc(OCc3ccc(Cl)cc3)cc2O1
InChIInChI=1S/C22H24ClNO5/c23-17-8-4-15(5-9-17)14-27-18-10-6-16-7-11-19(28-20(16)13-18)22(25)24-29-21-3-1-2-12-26-21/h4-6,8-10,13,19,21H,1-3,7,11-12,14H2,(H,24,25)
InChIKeyRBHURQDCDRJREA-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.19
Rot. Bonds6

About 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide

7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392736) has the molecular formula C22H24ClNO5 and a molecular weight of 417.89 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392736
Molecular FormulaC22H24ClNO5
Molecular Weight417.89 g/mol
Exact Mass417.13
IUPAC Name7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NOC1CCCCO1)C1CCc2ccc(OCc3ccc(Cl)cc3)cc2O1
InChIInChI=1S/C22H24ClNO5/c23-17-8-4-15(5-9-17)14-27-18-10-6-16-7-11-19(28-20(16)13-18)22(25)24-29-21-3-1-2-12-26-21/h4-6,8-10,13,19,21H,1-3,7,11-12,14H2,(H,24,25)
InChIKeyRBHURQDCDRJREA-UHFFFAOYSA-N
XLogP4.19
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392783
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-hydroxy-7-(pyridin-2-ylmethoxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 163392634
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566
(4R)-4-hydroxy-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide
CID 170777342
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
methyl 6-[3-(oxan-2-yloxy)propyl]-3,4-dihydro-2H-chromene-2-carboxylate
CID 163392743
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
(E)-3-[4-[[6-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-5-oxo-7,8-dihydronaphthalen-2-yl]oxymethyl]phenyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 155168268

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392736) is 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NOC1CCCCO1)C1CCc2ccc(OCc3ccc(Cl)cc3)cc2O1.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is RBHURQDCDRJREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO5/c23-17-8-4-15(5-9-17)14-27-18-10-6-16-7-11-19(28-20(16)13-18)22(25)24-29-21-3-1-2-12-26-21/h4-6,8-10,13,19,21H,1-3,7,11-12,14H2,(H,24,25).
What are the key properties of 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide?
7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 417.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-N-(oxan-2-yloxy)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).