CID 124775567

C24H29Cl2NO6 — CID 124775567

IUPAC—
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C24H29Cl2NO6/c25-15-8-7-14(13-16(15)26)27-21(28)19-17-18(31-23(30-17)9-3-1-4-10-23)20-22(29-19)33-24(32-20)11-5-2-6-12-24/h7-8,13,17-20,22H,1-6,9-12H2,(H,27,28)/t17-,18+,19-,20-,22-/m1/s1
InChIKeyPUWATNRSCWZXSO-AIYVTKCESA-N
MW498.40 g/mol
LogP5.18
Rot. Bonds2

About CID 124775567

CID 124775567 (PubChem CID 124775567) has the molecular formula C24H29Cl2NO6 and a molecular weight of 498.40 g/mol.

Molecular Properties

Compound NameCID 124775567
PubChem CID124775567
Molecular FormulaC24H29Cl2NO6
Molecular Weight498.40 g/mol
Exact Mass497.14
IUPAC Name—
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C24H29Cl2NO6/c25-15-8-7-14(13-16(15)26)27-21(28)19-17-18(31-23(30-17)9-3-1-4-10-23)20-22(29-19)33-24(32-20)11-5-2-6-12-24/h7-8,13,17-20,22H,1-6,9-12H2,(H,27,28)/t17-,18+,19-,20-,22-/m1/s1
InChIKeyPUWATNRSCWZXSO-AIYVTKCESA-N
XLogP5.18
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(1S,2R,6S,8S,9S)-N-(3-chloro-4-methylphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 7164043
(1R,2S,6S,8S,9R)-N-(3-chloro-4-fluorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124722699
CID 3625177
CID 3625177
CID 2265261
CID 2265261
(1S,2R,6S,8R,9S)-N-(3-chloro-4-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 51404466
(1S,2R,6S,8R,9S)-N-(4-chlorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 11888664
CID 21206001
CID 21206001
CID 124769108
CID 124769108
(1R,2R,6S,8S,9S)-N-(3-fluoro-4-methylphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 42223603
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
(1R,2R,6S,8S,9S)-N-(5-chloro-2-methoxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 42223582

Frequently Asked Questions

What is the IUPAC name of CID 124775567?
The IUPAC name of CID 124775567 (CID 124775567) is not available.
What is the SMILES notation for CID 124775567?
The canonical SMILES for CID 124775567 is O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of CID 124775567?
The InChIKey is PUWATNRSCWZXSO-AIYVTKCESA-N. The full InChI is InChI=1S/C24H29Cl2NO6/c25-15-8-7-14(13-16(15)26)27-21(28)19-17-18(31-23(30-17)9-3-1-4-10-23)20-22(29-19)33-24(32-20)11-5-2-6-12-24/h7-8,13,17-20,22H,1-6,9-12H2,(H,27,28)/t17-,18+,19-,20-,22-/m1/s1.
What are the key properties of CID 124775567?
CID 124775567 has a molecular weight of 498.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 124775567 is sourced from PubChem (CID 124775567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).