1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

C22H24F2N2O3 — CID 25265200

IUPAC1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2cccc3c2C[C@@H](O)CC3)c2cc(F)cc(F)c2O1
InChIInChI=1S/C22H24F2N2O3/c1-22(2)11-19(16-8-13(23)9-17(24)20(16)29-22)26-21(28)25-18-5-3-4-12-6-7-14(27)10-15(12)18/h3-5,8-9,14,19,27H,6-7,10-11H2,1-2H3,(H2,25,26,28)/t14-,19+/m0/s1
InChIKeyOWOQYIDOYXTZMR-IFXJQAMLSA-N
MW402.44 g/mol
LogP4.24
Rot. Bonds2

About 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea

1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (PubChem CID 25265200) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
PubChem CID25265200
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2cccc3c2C[C@@H](O)CC3)c2cc(F)cc(F)c2O1
InChIInChI=1S/C22H24F2N2O3/c1-22(2)11-19(16-8-13(23)9-17(24)20(16)29-22)26-21(28)25-18-5-3-4-12-6-7-14(27)10-15(12)18/h3-5,8-9,14,19,27H,6-7,10-11H2,1-2H3,(H2,25,26,28)/t14-,19+/m0/s1
InChIKeyOWOQYIDOYXTZMR-IFXJQAMLSA-N
XLogP4.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The IUPAC name of 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea (CID 25265200) is 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea.
What is the SMILES notation for 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The canonical SMILES for 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is CC1(C)C[C@@H](NC(=O)Nc2cccc3c2C[C@@H](O)CC3)c2cc(F)cc(F)c2O1.
What is the InChIKey of 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
The InChIKey is OWOQYIDOYXTZMR-IFXJQAMLSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-22(2)11-19(16-8-13(23)9-17(24)20(16)29-22)26-21(28)25-18-5-3-4-12-6-7-14(27)10-15(12)18/h3-5,8-9,14,19,27H,6-7,10-11H2,1-2H3,(H2,25,26,28)/t14-,19+/m0/s1.
What are the key properties of 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea?
1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea has a molecular weight of 402.44 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-6,8-difluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7S)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea is sourced from PubChem (CID 25265200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).