4-amino-N-(4-aminophenyl)-2-cyanobenzamide

C14H12N4O — CID 19689750

IUPAC4-amino-N-(4-aminophenyl)-2-cyanobenzamide
SMILESN#Cc1cc(N)ccc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H12N4O/c15-8-9-7-11(17)3-6-13(9)14(19)18-12-4-1-10(16)2-5-12/h1-7H,16-17H2,(H,18,19)
InChIKeyNCYIFVPGODRLEK-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.97
Rot. Bonds2

About 4-amino-N-(4-aminophenyl)-2-cyanobenzamide

4-amino-N-(4-aminophenyl)-2-cyanobenzamide (PubChem CID 19689750) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-amino-N-(4-aminophenyl)-2-cyanobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-aminophenyl)-2-cyanobenzamide
PubChem CID19689750
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-amino-N-(4-aminophenyl)-2-cyanobenzamide
SMILESN#Cc1cc(N)ccc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H12N4O/c15-8-9-7-11(17)3-6-13(9)14(19)18-12-4-1-10(16)2-5-12/h1-7H,16-17H2,(H,18,19)
InChIKeyNCYIFVPGODRLEK-UHFFFAOYSA-N
XLogP1.97
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-cyano-N-(4-fluorophenyl)benzamide
CID 122618305
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
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CID 107786844
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
CID 69333705
4-amino-N-(3-cyano-4-methoxyphenyl)benzamide
CID 23791470
5-amino-2-(2-chloropropanoyl)benzonitrile
CID 118832387
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminophenyl)-2-cyanobenzamide?
The IUPAC name of 4-amino-N-(4-aminophenyl)-2-cyanobenzamide (CID 19689750) is 4-amino-N-(4-aminophenyl)-2-cyanobenzamide.
What is the SMILES notation for 4-amino-N-(4-aminophenyl)-2-cyanobenzamide?
The canonical SMILES for 4-amino-N-(4-aminophenyl)-2-cyanobenzamide is N#Cc1cc(N)ccc1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(4-aminophenyl)-2-cyanobenzamide?
The InChIKey is NCYIFVPGODRLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-8-9-7-11(17)3-6-13(9)14(19)18-12-4-1-10(16)2-5-12/h1-7H,16-17H2,(H,18,19).
What are the key properties of 4-amino-N-(4-aminophenyl)-2-cyanobenzamide?
4-amino-N-(4-aminophenyl)-2-cyanobenzamide has a molecular weight of 252.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminophenyl)-2-cyanobenzamide is sourced from PubChem (CID 19689750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).