N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

C26H22ClFN4O3 — CID 169091771

IUPACN-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESO=C(CN1c2cc(F)ccc2C(O)C1O)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C26H22ClFN4O3/c27-18-3-1-2-16(10-18)13-31(20-7-4-17(5-8-20)22-12-29-15-30-22)24(33)14-32-23-11-19(28)6-9-21(23)25(34)26(32)35/h1-12,15,25-26,34-35H,13-14H2,(H,29,30)
InChIKeyGWTUJJMYFLWJKW-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.27
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide

N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (PubChem CID 169091771) has the molecular formula C26H22ClFN4O3 and a molecular weight of 492.94 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
PubChem CID169091771
Molecular FormulaC26H22ClFN4O3
Molecular Weight492.94 g/mol
Exact Mass492.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
SMILESO=C(CN1c2cc(F)ccc2C(O)C1O)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C26H22ClFN4O3/c27-18-3-1-2-16(10-18)13-31(20-7-4-17(5-8-20)22-12-29-15-30-22)24(33)14-32-23-11-19(28)6-9-21(23)25(34)26(32)35/h1-12,15,25-26,34-35H,13-14H2,(H,29,30)
InChIKeyGWTUJJMYFLWJKW-UHFFFAOYSA-N
XLogP4.27
TPSA92.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide (CID 169091771) is N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is O=C(CN1c2cc(F)ccc2C(O)C1O)N(Cc1cccc(Cl)c1)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
The InChIKey is GWTUJJMYFLWJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O3/c27-18-3-1-2-16(10-18)13-31(20-7-4-17(5-8-20)22-12-29-15-30-22)24(33)14-32-23-11-19(28)6-9-21(23)25(34)26(32)35/h1-12,15,25-26,34-35H,13-14H2,(H,29,30).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide?
N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide has a molecular weight of 492.94 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(6-fluoro-2,3-dihydroxy-2,3-dihydroindol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 169091771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).