1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea

C17H13N5O — CID 57474704

IUPAC1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea
SMILESN#C/C(N)=C(\C#N)NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-10-14(20)16(11-19)22-17(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9H,20H2,(H2,21,22,23)/b16-14-
InChIKeyPMXVZWVCOWQCBB-PEZBUJJGSA-N
MW303.33 g/mol
LogP2.69
Rot. Bonds3

About 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea

1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea (PubChem CID 57474704) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea
PubChem CID57474704
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea
SMILESN#C/C(N)=C(\C#N)NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H13N5O/c18-10-14(20)16(11-19)22-17(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9H,20H2,(H2,21,22,23)/b16-14-
InChIKeyPMXVZWVCOWQCBB-PEZBUJJGSA-N
XLogP2.69
TPSA114.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-methoxyphenyl)urea;methyl benzoate
CID 141219476
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
2-phenyl-N-(2-phenylphenyl)benzamide
CID 2216278
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
diethyl 2-[(2-phenylphenyl)carbamoylamino]propanedioate
CID 3756272
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea (CID 57474704) is 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea is N#C/C(N)=C(\C#N)NC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea?
The InChIKey is PMXVZWVCOWQCBB-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-14(20)16(11-19)22-17(23)21-15-9-5-4-8-13(15)12-6-2-1-3-7-12/h1-9H,20H2,(H2,21,22,23)/b16-14-.
What are the key properties of 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea?
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea has a molecular weight of 303.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 57474704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).