N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide

C21H23FN2O4 — CID 100732100

IUPACN-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
SMILESCOc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-28-17-8-9-18-15(11-17)3-2-10-21(18,27)13-24-20(26)19(25)23-12-14-4-6-16(22)7-5-14/h4-9,11,27H,2-3,10,12-13H2,1H3,(H,23,25)(H,24,26)/t21-/m0/s1
InChIKeySOSDEKAYSZRCNJ-NRFANRHFSA-N
MW386.42 g/mol
LogP1.79
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide (PubChem CID 100732100) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
PubChem CID100732100
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
SMILESCOc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4/c1-28-17-8-9-18-15(11-17)3-2-10-21(18,27)13-24-20(26)19(25)23-12-14-4-6-16(22)7-5-14/h4-9,11,27H,2-3,10,12-13H2,1H3,(H,23,25)(H,24,26)/t21-/m0/s1
InChIKeySOSDEKAYSZRCNJ-NRFANRHFSA-N
XLogP1.79
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 86267216
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]thiophene-3-carboxamide
CID 86267187
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 86267189
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]acetamide
CID 100731268
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-benzothiophene-2-carboxamide
CID 129416993
2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide
CID 100731123

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide (CID 100732100) is N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide is COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide?
The InChIKey is SOSDEKAYSZRCNJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-28-17-8-9-18-15(11-17)3-2-10-21(18,27)13-24-20(26)19(25)23-12-14-4-6-16(22)7-5-14/h4-9,11,27H,2-3,10,12-13H2,1H3,(H,23,25)(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide has a molecular weight of 386.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide is sourced from PubChem (CID 100732100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).