N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide

C18H16N2O2 — CID 60522164

IUPACN-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide
SMILESN#Cc1ccccc1COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16N2O2/c19-11-14-3-1-2-4-15(14)12-22-17-9-7-16(8-10-17)20-18(21)13-5-6-13/h1-4,7-10,13H,5-6,12H2,(H,20,21)
InChIKeyLJOMDUVKWATNJC-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.49
Rot. Bonds5

About N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide

N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide (PubChem CID 60522164) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide
PubChem CID60522164
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide
SMILESN#Cc1ccccc1COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H16N2O2/c19-11-14-3-1-2-4-15(14)12-22-17-9-7-16(8-10-17)20-18(21)13-5-6-13/h1-4,7-10,13H,5-6,12H2,(H,20,21)
InChIKeyLJOMDUVKWATNJC-UHFFFAOYSA-N
XLogP3.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
CID 47059942
4-[(2-cyanophenyl)methoxy]-N-cyclopentylbenzamide
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4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
(E)-2-cyano-3-[4-[(2-cyanophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 21230420
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
1-[[4-[(2-cyanophenyl)methoxy]benzoyl]amino]-3-methylurea
CID 86835841
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
4-N-(4-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148405

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide (CID 60522164) is N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide is N#Cc1ccccc1COc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is LJOMDUVKWATNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-14-3-1-2-4-15(14)12-22-17-9-7-16(8-10-17)20-18(21)13-5-6-13/h1-4,7-10,13H,5-6,12H2,(H,20,21).
What are the key properties of N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide?
N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-cyanophenyl)methoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60522164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).