N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide

C23H22FNO3 — CID 175640958

IUPACN-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2cccc3c(C(=O)N[C@@H]4CC[C@@H](O)[C@H]4O)cccc23)c(F)c1
InChIInChI=1S/C23H22FNO3/c1-13-8-9-17(19(24)12-13)15-5-2-6-16-14(15)4-3-7-18(16)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22+/m1/s1
InChIKeyOLDPHVYVZCPGSW-VSKRKVRLSA-N
MW379.43 g/mol
LogP3.57
Rot. Bonds3

About N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide

N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 175640958) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
PubChem CID175640958
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2cccc3c(C(=O)N[C@@H]4CC[C@@H](O)[C@H]4O)cccc23)c(F)c1
InChIInChI=1S/C23H22FNO3/c1-13-8-9-17(19(24)12-13)15-5-2-6-16-14(15)4-3-7-18(16)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22+/m1/s1
InChIKeyOLDPHVYVZCPGSW-VSKRKVRLSA-N
XLogP3.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-4-[3-fluoro-4-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 172660678
4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
CID 172670036
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
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
2-fluoro-5-methyl-N-(2-phenylcyclopropyl)benzamide
CID 62513017
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
2-fluoro-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 79765205
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide (CID 175640958) is N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(-c2cccc3c(C(=O)N[C@@H]4CC[C@@H](O)[C@H]4O)cccc23)c(F)c1.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is OLDPHVYVZCPGSW-VSKRKVRLSA-N. The full InChI is InChI=1S/C23H22FNO3/c1-13-8-9-17(19(24)12-13)15-5-2-6-16-14(15)4-3-7-18(16)23(28)25-20-10-11-21(26)22(20)27/h2-9,12,20-22,26-27H,10-11H2,1H3,(H,25,28)/t20-,21-,22+/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 379.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dihydroxycyclopentyl]-5-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 175640958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).