N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide

C26H21NO — CID 3098363

IUPACN-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO/c28-25(27-23-16-15-19-9-7-8-10-20(19)17-23)24-18-26(24,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,24H,18H2,(H,27,28)
InChIKeyXBWJDIDBBVALIY-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.78
Rot. Bonds4

About N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide

N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 3098363) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID3098363
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC NameN-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H21NO/c28-25(27-23-16-15-19-9-7-8-10-20(19)17-23)24-18-26(24,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,24H,18H2,(H,27,28)
InChIKeyXBWJDIDBBVALIY-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 7039734
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
2-amino-N-naphthalen-2-ylcyclopropane-1-carboxamide
CID 55035485
4-methyl-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 775974
3-(naphthalen-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3097308
(1R,2S,3S,4R)-3-(naphthalen-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18555464
(1S,2R,3S,4S)-3-(naphthalen-2-ylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 100821052
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide (CID 3098363) is N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide is O=C(Nc1ccc2ccccc2c1)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is XBWJDIDBBVALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c28-25(27-23-16-15-19-9-7-8-10-20(19)17-23)24-18-26(24,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-17,24H,18H2,(H,27,28).
What are the key properties of N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide?
N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3098363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).