N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C23H19F4NO3 — CID 172660678

IUPACN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)c2ccccc12
InChIInChI=1S/C23H19F4NO3/c24-18-11-12(5-8-17(18)23(25,26)27)13-6-7-16(15-4-2-1-3-14(13)15)22(31)28-19-9-10-20(29)21(19)30/h1-8,11,19-21,29-30H,9-10H2,(H,28,31)/t19-,20-,21-/m1/s1
InChIKeySXRADGIEQSYQFH-NJDAHSKKSA-N
MW433.40 g/mol
LogP4.28
Rot. Bonds3

About N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 172660678) has the molecular formula C23H19F4NO3 and a molecular weight of 433.40 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
PubChem CID172660678
Molecular FormulaC23H19F4NO3
Molecular Weight433.40 g/mol
Exact Mass433.13
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)c2ccccc12
InChIInChI=1S/C23H19F4NO3/c24-18-11-12(5-8-17(18)23(25,26)27)13-6-7-16(15-4-2-1-3-14(13)15)22(31)28-19-9-10-20(29)21(19)30/h1-8,11,19-21,29-30H,9-10H2,(H,28,31)/t19-,20-,21-/m1/s1
InChIKeySXRADGIEQSYQFH-NJDAHSKKSA-N
XLogP4.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide with MolForge

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Related Compounds

4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
CID 172670036
N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 175640958
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
CID 110125116
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
4-fluoro-N-[(1S,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 126020152
4-fluoro-N-[(1R,2R)-2,5,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 126020160
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
4-(diethylamino)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxybenzamide
CID 110166096
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-fluoro-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 45381522
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 172660678) is N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)c2ccccc12.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is SXRADGIEQSYQFH-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H19F4NO3/c24-18-11-12(5-8-17(18)23(25,26)27)13-6-7-16(15-4-2-1-3-14(13)15)22(31)28-19-9-10-20(29)21(19)30/h1-8,11,19-21,29-30H,9-10H2,(H,28,31)/t19-,20-,21-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 433.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 172660678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).