N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide

C25H23FN2O3 — CID 56572846

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H23FN2O3/c1-2-30-23-13-11-22(12-14-23)28(16-4-15-27)25(29)20-5-3-6-24(17-20)31-18-19-7-9-21(26)10-8-19/h3,5-14,17H,2,4,16,18H2,1H3
InChIKeyWWKFBHDAEBDXSM-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.36
Rot. Bonds9

About N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 56572846) has the molecular formula C25H23FN2O3 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
PubChem CID56572846
Molecular FormulaC25H23FN2O3
Molecular Weight418.47 g/mol
Exact Mass418.17
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H23FN2O3/c1-2-30-23-13-11-22(12-14-23)28(16-4-15-27)25(29)20-5-3-6-24(17-20)31-18-19-7-9-21(26)10-8-19/h3,5-14,17H,2,4,16,18H2,1H3
InChIKeyWWKFBHDAEBDXSM-UHFFFAOYSA-N
XLogP5.36
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535913
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 2344487
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140
N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 56534476
N-benzyl-N-(2-cyanoethyl)-3-ethoxybenzamide
CID 43911736
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 30801137
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 3-iodobenzoate
CID 16522262
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958823
N-benzyl-N-(2-cyanoethyl)-3-phenylmethoxybenzamide
CID 43911798
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56572748
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide (CID 56572846) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide is CCOc1ccc(N(CCC#N)C(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is WWKFBHDAEBDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3/c1-2-30-23-13-11-22(12-14-23)28(16-4-15-27)25(29)20-5-3-6-24(17-20)31-18-19-7-9-21(26)10-8-19/h3,5-14,17H,2,4,16,18H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 418.47 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 56572846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).