chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

C30H52Cl2N6O — CID 173035225

IUPACchloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C18H37NO.C11H11N5.CH3Cl.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2;/h2-17H2,1H3,(H2,19,20);1-7H,(H4,12,13,14);1H3;1H/b;16-15+;;
InChIKeyNBGBMJDNQYJAEV-PHWSNXGDSA-N
MW583.69 g/mol
LogP9.67
Rot. Bonds18

About chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (PubChem CID 173035225) has the molecular formula C30H52Cl2N6O and a molecular weight of 583.69 g/mol. Its IUPAC name is chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Namechloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
PubChem CID173035225
Molecular FormulaC30H52Cl2N6O
Molecular Weight583.69 g/mol
Exact Mass582.36
IUPAC Namechloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C18H37NO.C11H11N5.CH3Cl.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2;/h2-17H2,1H3,(H2,19,20);1-7H,(H4,12,13,14);1H3;1H/b;16-15+;;
InChIKeyNBGBMJDNQYJAEV-PHWSNXGDSA-N
XLogP9.67
TPSA132.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 59.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chlorohexadecane;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87072530
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
(2,6-diamino-5-phenyldiazenyl-3-pyridinyl) dodecanoate
CID 174260179
N-[3-(octadecanoylamino)-4-phenyldiazenylphenyl]octadecanamide
CID 71404813
N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
CID 5050785
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
CID 3615638
octadecanamide;hydrochloride
CID 87891779
hexanamide;phthalic acid
CID 159778698
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
CID 164909288
phenyl 3-[(2,6-diamino-3-pyridinyl)diazenyl]propanoate
CID 175516329
2-amino-N-(6-amino-5-phenyldiazenyl-2-pyridinyl)propanamide
CID 75184721
tetradecanamide
CID 175692014

Frequently Asked Questions

What is the IUPAC name of chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The IUPAC name of chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (CID 173035225) is chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The canonical SMILES for chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is CCCCCCCCCCCCCCCCCC(N)=O.CCl.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The InChIKey is NBGBMJDNQYJAEV-PHWSNXGDSA-N. The full InChI is InChI=1S/C18H37NO.C11H11N5.CH3Cl.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-2;/h2-17H2,1H3,(H2,19,20);1-7H,(H4,12,13,14);1H3;1H/b;16-15+;;.
What are the key properties of chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride has a molecular weight of 583.69 g/mol, XLogP of 9.67, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 173035225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).