N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide

C26H24ClNO3 — CID 56581269

IUPACN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H24ClNO3/c27-19-7-5-6-18(16-19)26(12-14-30-15-13-26)17-28-25(29)24-20-8-1-3-10-22(20)31-23-11-4-2-9-21(23)24/h1-11,16,24H,12-15,17H2,(H,28,29)
InChIKeyBUSMGMRKHSTZHQ-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.44
Rot. Bonds4

About N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 56581269) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
PubChem CID56581269
Molecular FormulaC26H24ClNO3
Molecular Weight433.94 g/mol
Exact Mass433.14
IUPAC NameN-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H24ClNO3/c27-19-7-5-6-18(16-19)26(12-14-30-15-13-26)17-28-25(29)24-20-8-1-3-10-22(20)31-23-11-4-2-9-21(23)24/h1-11,16,24H,12-15,17H2,(H,28,29)
InChIKeyBUSMGMRKHSTZHQ-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
CID 42145603
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
(E)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-phenylprop-2-enamide
CID 60576380
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
1-[(3-chlorophenyl)methyl]-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 100500131
2-(4-chlorophenyl)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-hydroxyacetamide
CID 139008870
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 51091950
2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119749920

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide (CID 56581269) is N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide is O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is BUSMGMRKHSTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO3/c27-19-7-5-6-18(16-19)26(12-14-30-15-13-26)17-28-25(29)24-20-8-1-3-10-22(20)31-23-11-4-2-9-21(23)24/h1-11,16,24H,12-15,17H2,(H,28,29).
What are the key properties of N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide?
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 56581269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).