(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide

C19H24ClF2N3O2 — CID 173201456

IUPAC(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1cccc(F)c1)c1ncc(Cl)[nH]1)C(N)=O
InChIInChI=1S/C19H24ClF2N3O2/c1-19(22,18(23)27)8-7-13(17-24-11-16(20)25-17)10-15(26)6-5-12-3-2-4-14(21)9-12/h2-4,9,11,13,15,26H,5-8,10H2,1H3,(H2,23,27)(H,24,25)/t13-,15+,19?/m1/s1
InChIKeyWFFNIJLATDIEOU-DEYXKNCISA-N
MW399.87 g/mol
LogP3.66
Rot. Bonds10

About (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide

(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide (PubChem CID 173201456) has the molecular formula C19H24ClF2N3O2 and a molecular weight of 399.87 g/mol. Its IUPAC name is (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide.

Molecular Properties

Compound Name(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide
PubChem CID173201456
Molecular FormulaC19H24ClF2N3O2
Molecular Weight399.87 g/mol
Exact Mass399.15
IUPAC Name(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide
SMILESCC(F)(CC[C@H](C[C@@H](O)CCc1cccc(F)c1)c1ncc(Cl)[nH]1)C(N)=O
InChIInChI=1S/C19H24ClF2N3O2/c1-19(22,18(23)27)8-7-13(17-24-11-16(20)25-17)10-15(26)6-5-12-3-2-4-14(21)9-12/h2-4,9,11,13,15,26H,5-8,10H2,1H3,(H2,23,27)(H,24,25)/t13-,15+,19?/m1/s1
InChIKeyWFFNIJLATDIEOU-DEYXKNCISA-N
XLogP3.66
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.87
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[(2S)-4-(3-fluorophenyl)-2-hydroxybutyl]-2-hydroxy-2-methylhexanediamide
CID 10315202
2-fluoro-5-[2-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-2-methylhexanediamide
CID 22452343
N-[(1S,2S,4R)-1-(5-chloro-1H-imidazol-2-yl)-7-fluoro-4-[(3-fluorophenyl)methyl]-2-hydroxy-7-methyloctyl]quinoxaline-2-carboxamide
CID 91031868
(5R)-N'-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 173120771
(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
CID 173243874
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
2-amino-6-(3-fluorophenyl)-2,4-dimethylhexanoic acid
CID 151774149
(5R)-2-hydroxy-5-[(2S)-2-hydroxy-4-phenylbutyl]-2-methylhexanediamide
CID 21345551
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119605825
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide?
The IUPAC name of (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide (CID 173201456) is (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide.
What is the SMILES notation for (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide?
The canonical SMILES for (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide is CC(F)(CC[C@H](C[C@@H](O)CCc1cccc(F)c1)c1ncc(Cl)[nH]1)C(N)=O.
What is the InChIKey of (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide?
The InChIKey is WFFNIJLATDIEOU-DEYXKNCISA-N. The full InChI is InChI=1S/C19H24ClF2N3O2/c1-19(22,18(23)27)8-7-13(17-24-11-16(20)25-17)10-15(26)6-5-12-3-2-4-14(21)9-12/h2-4,9,11,13,15,26H,5-8,10H2,1H3,(H2,23,27)(H,24,25)/t13-,15+,19?/m1/s1.
What are the key properties of (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide?
(5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide has a molecular weight of 399.87 g/mol, XLogP of 3.66, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-5-(5-chloro-1H-imidazol-2-yl)-2-fluoro-9-(3-fluorophenyl)-7-hydroxy-2-methylnonanamide is sourced from PubChem (CID 173201456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).