3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide

C16H11N3O2 — CID 43369330

IUPAC3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H11N3O2/c17-8-9-21-15-7-2-1-6-14(15)19-16(20)13-5-3-4-12(10-13)11-18/h1-7,10H,9H2,(H,19,20)
InChIKeyBYQPRKDKQGULRG-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.71
Rot. Bonds4

About 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide

3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide (PubChem CID 43369330) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
PubChem CID43369330
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1ccccc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H11N3O2/c17-8-9-21-15-7-2-1-6-14(15)19-16(20)13-5-3-4-12(10-13)11-18/h1-7,10H,9H2,(H,19,20)
InChIKeyBYQPRKDKQGULRG-UHFFFAOYSA-N
XLogP2.71
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
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3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
N-[2-(cyanomethoxy)phenyl]furan-3-carboxamide
CID 43369380
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-[2-(3-phenylprop-2-ynoxy)phenyl]benzamide
CID 11404659
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
3-cyano-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzamide
CID 71802933
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-cyanobenzamide
CID 8009499
N-[2-(cyanomethoxy)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107014799
methyl 3-[(3-cyanobenzoyl)amino]-2-hydroxybenzoate
CID 108745882

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide (CID 43369330) is 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide is N#CCOc1ccccc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide?
The InChIKey is BYQPRKDKQGULRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-8-9-21-15-7-2-1-6-14(15)19-16(20)13-5-3-4-12(10-13)11-18/h1-7,10H,9H2,(H,19,20).
What are the key properties of 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide?
3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide has a molecular weight of 277.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 43369330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).