4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide

C23H20N2O2 — CID 55659561

IUPAC4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-27-21-14-12-19(13-15-21)22(18-6-4-3-5-7-18)25-23(26)20-10-8-17(16-24)9-11-20/h3-15,22H,2H2,1H3,(H,25,26)
InChIKeyOWGKMKLJBWULRF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.48
Rot. Bonds6

About 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide

4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide (PubChem CID 55659561) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
PubChem CID55659561
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
SMILESCCOc1ccc(C(NC(=O)c2ccc(C#N)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-2-27-21-14-12-19(13-15-21)22(18-6-4-3-5-7-18)25-23(26)20-10-8-17(16-24)9-11-20/h3-15,22H,2H2,1H3,(H,25,26)
InChIKeyOWGKMKLJBWULRF-UHFFFAOYSA-N
XLogP4.48
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 46377580
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018489
4-cyano-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 7936479
3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 10812449
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide (CID 55659561) is 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide is CCOc1ccc(C(NC(=O)c2ccc(C#N)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
The InChIKey is OWGKMKLJBWULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-27-21-14-12-19(13-15-21)22(18-6-4-3-5-7-18)25-23(26)20-10-8-17(16-24)9-11-20/h3-15,22H,2H2,1H3,(H,25,26).
What are the key properties of 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide?
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 55659561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).