N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide

C19H28FNO4 — CID 174483712

IUPACN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1F)C1C(O)CCC1O
InChIInChI=1S/C19H28FNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15?,16?,17?,18?/m0/s1
InChIKeyJGTISDIEAWRHQP-NUVRTYOOSA-N
MW353.43 g/mol
LogP1.39
Rot. Bonds7

About N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide

N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide (PubChem CID 174483712) has the molecular formula C19H28FNO4 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide
PubChem CID174483712
Molecular FormulaC19H28FNO4
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1F)C1C(O)CCC1O
InChIInChI=1S/C19H28FNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15?,16?,17?,18?/m0/s1
InChIKeyJGTISDIEAWRHQP-NUVRTYOOSA-N
XLogP1.39
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-phenylethyl]-2-hydroxy-3-phenylpropanamide
CID 174483695
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
(3R)-3-amino-4-cyclohexyl-N-[1-(2-fluorophenyl)propan-2-yl]-2-hydroxybutanamide
CID 70064214
N-[(1S)-1-(1,3-dioxolan-2-yl)-2-phenylmethoxyethyl]-2-hydroxy-4-methylpentanamide
CID 68521296
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
3-(2-fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 71857988
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
CID 119459069
1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
CID 12070578

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide (CID 174483712) is N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide is CC(C)CC(O)C(=O)N[C@@H](Cc1ccccc1F)C1C(O)CCC1O.
What is the InChIKey of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide?
The InChIKey is JGTISDIEAWRHQP-NUVRTYOOSA-N. The full InChI is InChI=1S/C19H28FNO4/c1-11(2)9-17(24)19(25)21-14(18-15(22)7-8-16(18)23)10-12-5-3-4-6-13(12)20/h3-6,11,14-18,22-24H,7-10H2,1-2H3,(H,21,25)/t14-,15?,16?,17?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide?
N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide has a molecular weight of 353.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dihydroxycyclopentyl)-2-(2-fluorophenyl)ethyl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 174483712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).