N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide

C14H15N5O — CID 12925886

IUPACN-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
SMILESNC(N)=Nc1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15N5O/c15-10-3-7-11(8-4-10)18-13(20)9-1-5-12(6-2-9)19-14(16)17/h1-8H,15H2,(H,18,20)(H4,16,17,19)
InChIKeyUAOJMNNQDZJHRG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.43
Rot. Bonds3

About N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide

N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide (PubChem CID 12925886) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
PubChem CID12925886
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
SMILESNC(N)=Nc1ccc(C(=O)Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H15N5O/c15-10-3-7-11(8-4-10)18-13(20)9-1-5-12(6-2-9)19-14(16)17/h1-8H,15H2,(H,18,20)(H4,16,17,19)
InChIKeyUAOJMNNQDZJHRG-UHFFFAOYSA-N
XLogP1.43
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
[4-[[4-(diaminomethylideneamino)benzoyl]amino]phenyl]methyl carbamate
CID 175512286
4-amino-N-(4-aminophenyl)benzamide;ethanamine
CID 19078068
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-aminophenyl)-4-ethenylbenzamide
CID 13082944
4-amino-N-[4-[3-amino-5-[4-[(4-aminobenzoyl)amino]phenyl]phenyl]phenyl]benzamide
CID 150367219
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
4-(diaminomethylideneamino)benzamide
CID 12818149
N-(4-aminophenyl)benzamide;ethane;ethene
CID 144544387
3-[4-[[4-(diaminomethylideneamino)benzoyl]amino]phenyl]sulfonyl-3-phenylpropanoic acid
CID 22268440
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide?
The IUPAC name of N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide (CID 12925886) is N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide?
The canonical SMILES for N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide is NC(N)=Nc1ccc(C(=O)Nc2ccc(N)cc2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide?
The InChIKey is UAOJMNNQDZJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c15-10-3-7-11(8-4-10)18-13(20)9-1-5-12(6-2-9)19-14(16)17/h1-8H,15H2,(H,18,20)(H4,16,17,19).
What are the key properties of N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide?
N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide has a molecular weight of 269.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide is sourced from PubChem (CID 12925886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).