4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide

C24H16N2O2 — CID 58834878

IUPAC4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C24H16N2O2/c25-16-17-8-10-19(11-9-17)24(27)26-20-12-14-21(15-13-20)28-23-7-3-5-18-4-1-2-6-22(18)23/h1-15H,(H,26,27)
InChIKeyJMZXJKIUQSBAJK-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.76
Rot. Bonds4

About 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide

4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide (PubChem CID 58834878) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
PubChem CID58834878
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C24H16N2O2/c25-16-17-8-10-19(11-9-17)24(27)26-20-12-14-21(15-13-20)28-23-7-3-5-18-4-1-2-6-22(18)23/h1-15H,(H,26,27)
InChIKeyJMZXJKIUQSBAJK-UHFFFAOYSA-N
XLogP5.76
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
2-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzoic acid
CID 1216754
4-[4-(cyanomethyl)phenoxy]-N-[4-[4-(cyanomethyl)phenoxy]phenyl]benzamide;4-(4-cyanophenoxy)-N-[4-(4-cyanophenoxy)phenyl]benzamide;4-(4-methoxyphenoxy)-N-[4-(4-methoxyphenoxy)phenyl]benzamide
CID 158179575
4-butyl-N-[4-(4-cyanophenoxy)phenyl]benzamide
CID 44723465
4-naphthalen-1-yloxybenzoyl fluoride
CID 54185707
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide?
The IUPAC name of 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide (CID 58834878) is 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide.
What is the SMILES notation for 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide?
The canonical SMILES for 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide is N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide?
The InChIKey is JMZXJKIUQSBAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c25-16-17-8-10-19(11-9-17)24(27)26-20-12-14-21(15-13-20)28-23-7-3-5-18-4-1-2-6-22(18)23/h1-15H,(H,26,27).
What are the key properties of 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide?
4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide has a molecular weight of 364.40 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-naphthalen-1-yloxyphenyl)benzamide is sourced from PubChem (CID 58834878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).