3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide

C21H15FN2O2 — CID 46594970

IUPAC3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H15FN2O2/c22-18-9-7-15(8-10-18)14-26-20-6-2-5-19(12-20)24-21(25)17-4-1-3-16(11-17)13-23/h1-12H,14H2,(H,24,25)
InChIKeyVCQOBCKQRBPXQM-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.53
Rot. Bonds5

About 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide

3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide (PubChem CID 46594970) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
PubChem CID46594970
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H15FN2O2/c22-18-9-7-15(8-10-18)14-26-20-6-2-5-19(12-20)24-21(25)17-4-1-3-16(11-17)13-23/h1-12H,14H2,(H,24,25)
InChIKeyVCQOBCKQRBPXQM-UHFFFAOYSA-N
XLogP4.53
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(4-cyanophenyl)-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 90241335
3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 139501079
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide (CID 46594970) is 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide?
The InChIKey is VCQOBCKQRBPXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-18-9-7-15(8-10-18)14-26-20-6-2-5-19(12-20)24-21(25)17-4-1-3-16(11-17)13-23/h1-12H,14H2,(H,24,25).
What are the key properties of 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide?
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide has a molecular weight of 346.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46594970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).