2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide

C17H13N3O2 — CID 168523947

IUPAC2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(C#N)c(OCc2ccccc2)c1
InChIInChI=1S/C17H13N3O2/c18-9-8-17(21)20-15-7-6-14(11-19)16(10-15)22-12-13-4-2-1-3-5-13/h1-7,10H,8,12H2,(H,20,21)
InChIKeyPZCNOPUVYTUPNT-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.99
Rot. Bonds5

About 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide

2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide (PubChem CID 168523947) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
PubChem CID168523947
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide
SMILESN#CCC(=O)Nc1ccc(C#N)c(OCc2ccccc2)c1
InChIInChI=1S/C17H13N3O2/c18-9-8-17(21)20-15-7-6-14(11-19)16(10-15)22-12-13-4-2-1-3-5-13/h1-7,10H,8,12H2,(H,20,21)
InChIKeyPZCNOPUVYTUPNT-UHFFFAOYSA-N
XLogP2.99
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-cyano-3-phenylmethoxyanilino)pyridine-3-carboxamide
CID 10291190
4-(2-cyanoacetyl)-5-fluoro-2-phenylmethoxybenzonitrile
CID 142080887
2-cyano-N-(3-methoxy-4-phenylphenyl)acetamide
CID 168520198
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-nitro-2-phenylmethoxybenzonitrile
CID 11780048
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142
2-[2-cyano-4-(phenylmethoxycarbonylamino)phenoxy]acetic acid
CID 23062611
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide (CID 168523947) is 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide is N#CCC(=O)Nc1ccc(C#N)c(OCc2ccccc2)c1.
What is the InChIKey of 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide?
The InChIKey is PZCNOPUVYTUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-9-8-17(21)20-15-7-6-14(11-19)16(10-15)22-12-13-4-2-1-3-5-13/h1-7,10H,8,12H2,(H,20,21).
What are the key properties of 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide?
2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-cyano-3-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 168523947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).