2,6-diamino-4-phosphanylbenzamide

C7H10N3OP — CID 163504377

IUPAC2,6-diamino-4-phosphanylbenzamide
SMILESNC(=O)c1c(N)cc(P)cc1N
InChIInChI=1S/C7H10N3OP/c8-4-1-3(12)2-5(9)6(4)7(10)11/h1-2H,8-9,12H2,(H2,10,11)
InChIKeyCXJFVFDUEPOMFG-UHFFFAOYSA-N
MW183.15 g/mol
LogP-0.55
Rot. Bonds1

About 2,6-diamino-4-phosphanylbenzamide

2,6-diamino-4-phosphanylbenzamide (PubChem CID 163504377) has the molecular formula C7H10N3OP and a molecular weight of 183.15 g/mol. Its IUPAC name is 2,6-diamino-4-phosphanylbenzamide.

Molecular Properties

Compound Name2,6-diamino-4-phosphanylbenzamide
PubChem CID163504377
Molecular FormulaC7H10N3OP
Molecular Weight183.15 g/mol
Exact Mass183.06
IUPAC Name2,6-diamino-4-phosphanylbenzamide
SMILESNC(=O)c1c(N)cc(P)cc1N
InChIInChI=1S/C7H10N3OP/c8-4-1-3(12)2-5(9)6(4)7(10)11/h1-2H,8-9,12H2,(H2,10,11)
InChIKeyCXJFVFDUEPOMFG-UHFFFAOYSA-N
XLogP-0.55
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-2,6-dihydroxybenzamide
CID 139938783
2-amino-6-hydroxybenzamide
CID 15089372
2-amino-6-fluoro-4-(trifluoromethoxy)benzamide
CID 119008473
2-amino-6-chloro-4-(trifluoromethoxy)benzamide
CID 119001912
4-amino-6-chloro-2-(methylamino)pyridine-3-carboxamide
CID 90192665
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
4-amino-2,3-dicarbamoylbenzoic acid
CID 23168446
2,4,6-tris(2,4,5-trifluorophenyl)benzene-1,3,5-tricarboxamide
CID 139330725
benzene-1,2,3,4-tetracarboxamide
CID 54274025
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
5-amino-7-bromo-2-methylindazole-4-carboxamide
CID 172596610
2-amino-4,5-difluorobenzamide
CID 16640510

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-phosphanylbenzamide?
The IUPAC name of 2,6-diamino-4-phosphanylbenzamide (CID 163504377) is 2,6-diamino-4-phosphanylbenzamide.
What is the SMILES notation for 2,6-diamino-4-phosphanylbenzamide?
The canonical SMILES for 2,6-diamino-4-phosphanylbenzamide is NC(=O)c1c(N)cc(P)cc1N.
What is the InChIKey of 2,6-diamino-4-phosphanylbenzamide?
The InChIKey is CXJFVFDUEPOMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3OP/c8-4-1-3(12)2-5(9)6(4)7(10)11/h1-2H,8-9,12H2,(H2,10,11).
What are the key properties of 2,6-diamino-4-phosphanylbenzamide?
2,6-diamino-4-phosphanylbenzamide has a molecular weight of 183.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-phosphanylbenzamide is sourced from PubChem (CID 163504377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).