N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide

C14H15N5O — CID 29045

IUPACN-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(N)cc2N)cc1
InChIInChI=1S/C14H15N5O/c1-9(20)17-11-3-5-12(6-4-11)18-19-14-7-2-10(15)8-13(14)16/h2-8H,15-16H2,1H3,(H,17,20)/b19-18+
InChIKeyRMHYZSOMWDHANJ-VHEBQXMUSA-N
MW269.31 g/mol
LogP3.22
Rot. Bonds3

About N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide

N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide (PubChem CID 29045) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
PubChem CID29045
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC NameN-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2ccc(N)cc2N)cc1
InChIInChI=1S/C14H15N5O/c1-9(20)17-11-3-5-12(6-4-11)18-19-14-7-2-10(15)8-13(14)16/h2-8H,15-16H2,1H3,(H,17,20)/b19-18+
InChIKeyRMHYZSOMWDHANJ-VHEBQXMUSA-N
XLogP3.22
TPSA105.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

disodium;8-[[4-[(4-acetamidophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-5-aminonaphthalene-2-sulfonate
CID 21118095
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
[3-amino-4-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]phenyl]urea
CID 129086311
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
4-amino-N-[4-[[4-[(4-aminobenzoyl)amino]phenyl]diazenyl]phenyl]benzamide
CID 134597340
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
N-[4-[2-(2,4-diaminophenyl)ethynyl]phenyl]acetamide
CID 163487445
4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine dichloride
CID 170924083
N-[4-[[4-[(4-cyanophenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126494635
4-[[2,4-diamino-5-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
CID 165363256
4-acetamido-6-[(4-acetamidophenyl)diazenyl]-5-hydroxynaphthalene-2-sulfonic acid
CID 135517467
sodium 3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1-sulfonate
CID 135666601

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide (CID 29045) is N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide is CC(=O)Nc1ccc(/N=N/c2ccc(N)cc2N)cc1.
What is the InChIKey of N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide?
The InChIKey is RMHYZSOMWDHANJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(20)17-11-3-5-12(6-4-11)18-19-14-7-2-10(15)8-13(14)16/h2-8H,15-16H2,1H3,(H,17,20)/b19-18+.
What are the key properties of N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide?
N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide has a molecular weight of 269.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-diaminophenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 29045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).