N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide

C27H18N2O2 — CID 44821171

IUPACN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C27H18N2O2/c28-17-22-24(19-10-3-1-4-11-19)25-21-14-8-7-9-18(21)15-16-23(25)31-27(22)29-26(30)20-12-5-2-6-13-20/h1-16,24H,(H,29,30)
InChIKeyLJFPKHXZIALJMI-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.53
Rot. Bonds3

About N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide

N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide (PubChem CID 44821171) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
PubChem CID44821171
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC NameN-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide
SMILESN#CC1=C(NC(=O)c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C27H18N2O2/c28-17-22-24(19-10-3-1-4-11-19)25-21-14-8-7-9-18(21)15-16-23(25)31-27(22)29-26(30)20-12-5-2-6-13-20/h1-16,24H,(H,29,30)
InChIKeyLJFPKHXZIALJMI-UHFFFAOYSA-N
XLogP5.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide?
The IUPAC name of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide (CID 44821171) is N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide.
What is the SMILES notation for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide?
The canonical SMILES for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide is N#CC1=C(NC(=O)c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1.
What is the InChIKey of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide?
The InChIKey is LJFPKHXZIALJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c28-17-22-24(19-10-3-1-4-11-19)25-21-14-8-7-9-18(21)15-16-23(25)31-27(22)29-26(30)20-12-5-2-6-13-20/h1-16,24H,(H,29,30).
What are the key properties of N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide?
N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-phenyl-1H-benzo[f]chromen-3-yl)benzamide is sourced from PubChem (CID 44821171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).