(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide

C24H24ClNO3 — CID 7962448

IUPAC(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)oc1ccccc12
InChIInChI=1S/C24H24ClNO3/c1-28-21-7-17-16-4-2-3-5-19(16)29-20(17)8-18(21)26-22(27)23-9-14-6-15(10-23)12-24(25,11-14)13-23/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,26,27)/t14-,15+,23?,24?
InChIKeyVDIUTPSMGUDBSP-DOEIMJQGSA-N
MW409.91 g/mol
LogP6.11
Rot. Bonds3

About (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide

(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide (PubChem CID 7962448) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
PubChem CID7962448
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)oc1ccccc12
InChIInChI=1S/C24H24ClNO3/c1-28-21-7-17-16-4-2-3-5-19(16)29-20(17)8-18(21)26-22(27)23-9-14-6-15(10-23)12-24(25,11-14)13-23/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,26,27)/t14-,15+,23?,24?
InChIKeyVDIUTPSMGUDBSP-DOEIMJQGSA-N
XLogP6.11
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,7S)-N-(2-methoxydibenzofuran-3-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 98267217
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
CID 2225841
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (5R,7S)-3-bromoadamantane-1-carboxylate
CID 25346305
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
N-(2-methoxydibenzofuran-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 9098188
(5S,7S)-3-chloro-N-(3-chloro-4-methoxyphenyl)adamantane-1-carboxamide
CID 98594949
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8573037
(5S,7R)-3-chloro-N-(3-methoxyphenyl)adamantane-1-carboxamide
CID 7946875
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide?
The IUPAC name of (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide (CID 7962448) is (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide is COc1cc2c(cc1NC(=O)C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)oc1ccccc12.
What is the InChIKey of (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide?
The InChIKey is VDIUTPSMGUDBSP-DOEIMJQGSA-N. The full InChI is InChI=1S/C24H24ClNO3/c1-28-21-7-17-16-4-2-3-5-19(16)29-20(17)8-18(21)26-22(27)23-9-14-6-15(10-23)12-24(25,11-14)13-23/h2-5,7-8,14-15H,6,9-13H2,1H3,(H,26,27)/t14-,15+,23?,24?.
What are the key properties of (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide?
(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide has a molecular weight of 409.91 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 7962448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).