(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide

C21H24FNO4 — CID 58115535

IUPAC(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
SMILESCOCC(CC(C)=O)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-15(24)11-18(14-26-2)21(25)23-12-16-5-9-20(10-6-16)27-13-17-3-7-19(22)8-4-17/h3-10,18H,11-14H2,1-2H3,(H,23,25)
InChIKeyBZJNNJURLPPCSN-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.26
Rot. Bonds10

About (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide

(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide (PubChem CID 58115535) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
PubChem CID58115535
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide
SMILESCOCC(CC(C)=O)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H24FNO4/c1-15(24)11-18(14-26-2)21(25)23-12-16-5-9-20(10-6-16)27-13-17-3-7-19(22)8-4-17/h3-10,18H,11-14H2,1-2H3,(H,23,25)
InChIKeyBZJNNJURLPPCSN-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2R)-N-benzyl-2-(methoxymethyl)-4-oxopentanamide;(2R)-2-(hydroxymethyl)-4-oxopentanoic acid;(2R)-2-(methoxymethyl)-4-oxopentanoic acid
CID 160800374
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 92678294
2-amino-3-methoxy-N-[[4-(phenoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120985987
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715760
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791453
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 133212989
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-naphthalen-1-yloxybutanamide
CID 94016431
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide?
The IUPAC name of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide (CID 58115535) is (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide.
What is the SMILES notation for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide?
The canonical SMILES for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide is COCC(CC(C)=O)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide?
The InChIKey is BZJNNJURLPPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-15(24)11-18(14-26-2)21(25)23-12-16-5-9-20(10-6-16)27-13-17-3-7-19(22)8-4-17/h3-10,18H,11-14H2,1-2H3,(H,23,25).
What are the key properties of (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide?
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide has a molecular weight of 373.42 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(methoxymethyl)-4-oxopentanamide is sourced from PubChem (CID 58115535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).