1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide

C21H18N2O3 — CID 142413600

IUPAC1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C21H18N2O3/c24-16-10-8-15(9-11-16)22-19(25)21(12-13-21)20(26)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11,24H,12-13H2,(H,22,25)(H,23,26)
InChIKeyLYNIOVADNNWUCB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.90
Rot. Bonds4

About 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide

1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide (PubChem CID 142413600) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide
PubChem CID142413600
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(O)cc1)C1(C(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C21H18N2O3/c24-16-10-8-15(9-11-16)22-19(25)21(12-13-21)20(26)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11,24H,12-13H2,(H,22,25)(H,23,26)
InChIKeyLYNIOVADNNWUCB-UHFFFAOYSA-N
XLogP3.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-naphthalen-1-ylcyclopentane-1-carboxamide
CID 60867744
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-N-(4-hydroxyphenyl)-1-N'-pyridin-2-ylcyclopropane-1,1-dicarboxamide
CID 142413626
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
1-N'-(2-chlorophenyl)-1-N-(4-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981773
1-N'-(2-chlorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980864
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N'-(2,3-dichlorophenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983092
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide (CID 142413600) is 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(O)cc1)C1(C(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is LYNIOVADNNWUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-16-10-8-15(9-11-16)22-19(25)21(12-13-21)20(26)23-18-7-3-5-14-4-1-2-6-17(14)18/h1-11,24H,12-13H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide?
1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-hydroxyphenyl)-1-N'-naphthalen-1-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 142413600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).