4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide

C10H10N4O2 — CID 79193732

IUPAC4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
SMILESN#CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H10N4O2/c11-6-14-9(15)5-13-10(16)7-1-3-8(12)4-2-7/h1-4H,5,12H2,(H,13,16)(H,14,15)
InChIKeyVDZBAFQOOPJDSC-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.40
Rot. Bonds3

About 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide

4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide (PubChem CID 79193732) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
PubChem CID79193732
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide
SMILESN#CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H10N4O2/c11-6-14-9(15)5-13-10(16)7-1-3-8(12)4-2-7/h1-4H,5,12H2,(H,13,16)(H,14,15)
InChIKeyVDZBAFQOOPJDSC-UHFFFAOYSA-N
XLogP-0.40
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-cyanobenzamide
CID 12713849
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]benzamide
CID 65314150
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[2-(2-methylsulfanylethylamino)-2-oxoethyl]benzamide
CID 60666348
4-amino-N-[2-(4-hydroxybutan-2-ylamino)-2-oxoethyl]benzamide
CID 83177077
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
(2R)-2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80751377
2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]butanoic acid
CID 61161200
4-amino-N-[2-(hex-1-yn-3-ylamino)-2-oxoethyl]benzamide
CID 106230565

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide (CID 79193732) is 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide is N#CNC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide?
The InChIKey is VDZBAFQOOPJDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-6-14-9(15)5-13-10(16)7-1-3-8(12)4-2-7/h1-4H,5,12H2,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide?
4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide has a molecular weight of 218.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyanoamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 79193732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).