N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide

C16H13N3O3 — CID 38380319

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H13N3O3/c17-9-11-2-1-3-12(8-11)16(21)19-13-4-6-14(7-5-13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21)
InChIKeyLVZIORGDQPACRU-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.67
Rot. Bonds5

About N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide (PubChem CID 38380319) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
PubChem CID38380319
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1
InChIInChI=1S/C16H13N3O3/c17-9-11-2-1-3-12(8-11)16(21)19-13-4-6-14(7-5-13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21)
InChIKeyLVZIORGDQPACRU-UHFFFAOYSA-N
XLogP1.67
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(4-propoxyphenyl)benzamide
CID 62328524
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(dimethylamino)benzamide
CID 38381278
N-(2-amino-2-oxoethoxy)-3-cyanobenzamide
CID 112550783
2-[4-[(3-cyanophenyl)methylamino]phenoxy]acetamide
CID 43711069
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-N-(4-cyanophenyl)-3-N-(4-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109057669
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
[2-(4-ethoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626294
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-bromopyridine-4-carboxamide
CID 103752263
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chloropyridine-4-carboxamide
CID 38383627
2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
CID 34795688

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide (CID 38380319) is N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ccc(OCC(N)=O)cc2)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide?
The InChIKey is LVZIORGDQPACRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-9-11-2-1-3-12(8-11)16(21)19-13-4-6-14(7-5-13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide has a molecular weight of 295.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide is sourced from PubChem (CID 38380319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).