N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide

C26H27FN2O3 — CID 166202309

IUPACN-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1)C(O)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-17(25(31)21-9-4-5-10-22(21)27)28-26(32)23-11-6-14-29(23)24(30)16-18-12-13-19-7-2-3-8-20(19)15-18/h2-5,7-10,12-13,15,17,23,25,31H,6,11,14,16H2,1H3,(H,28,32)
InChIKeyMBKMYWSAZRAQIJ-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide

N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide (PubChem CID 166202309) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
PubChem CID166202309
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC NameN-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1)C(O)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-17(25(31)21-9-4-5-10-22(21)27)28-26(32)23-11-6-14-29(23)24(30)16-18-12-13-19-7-2-3-8-20(19)15-18/h2-5,7-10,12-13,15,17,23,25,31H,6,11,14,16H2,1H3,(H,28,32)
InChIKeyMBKMYWSAZRAQIJ-UHFFFAOYSA-N
XLogP3.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 166191616
(2S)-N-[(2R)-1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 11627313
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172889076
1-[2-(3-fluoro-4-methoxyphenyl)acetyl]-N-phenylpyrrolidine-2-carboxamide
CID 47022865
N-[(2R)-1-(5-aminopentylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2-ethylbutanoyl)pyrrolidine-2-carboxamide
CID 58590558
(2S)-1-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-N-[(2S)-4-methyl-1-(2-naphthalen-2-ylethylamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 171509755
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 165362024
[2-[2-[[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]piperidin-1-yl]-2-oxoethyl]sulfanylmethylphosphonic acid
CID 69099546
(2S)-N-[4-[6-[2-oxo-2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]ethyl]naphthalen-2-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58315973
methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-[6-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]naphthalen-2-yl]acetyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 58316297
(2S)-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 170413362
N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 69121254

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide (CID 166202309) is N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1C(=O)Cc1ccc2ccccc2c1)C(O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is MBKMYWSAZRAQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-17(25(31)21-9-4-5-10-22(21)27)28-26(32)23-11-6-14-29(23)24(30)16-18-12-13-19-7-2-3-8-20(19)15-18/h2-5,7-10,12-13,15,17,23,25,31H,6,11,14,16H2,1H3,(H,28,32).
What are the key properties of N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide?
N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-1-hydroxypropan-2-yl]-1-(2-naphthalen-2-ylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166202309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).