N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide

C15H17F2N5O — CID 142468065

IUPACN'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide
SMILESN/C(=N\N(N)CCO)c1ccccc1Nc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N5O/c16-10-5-6-14(12(17)9-10)20-13-4-2-1-3-11(13)15(18)21-22(19)7-8-23/h1-6,9,20,23H,7-8,19H2,(H2,18,21)
InChIKeyUALMIZVQNMNOJG-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.50
Rot. Bonds6

About N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide

N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide (PubChem CID 142468065) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide
PubChem CID142468065
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC NameN'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide
SMILESN/C(=N\N(N)CCO)c1ccccc1Nc1ccc(F)cc1F
InChIInChI=1S/C15H17F2N5O/c16-10-5-6-14(12(17)9-10)20-13-4-2-1-3-11(13)15(18)21-22(19)7-8-23/h1-6,9,20,23H,7-8,19H2,(H2,18,21)
InChIKeyUALMIZVQNMNOJG-UHFFFAOYSA-N
XLogP1.50
TPSA99.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[amino(2-hydroxyethyl)amino]-2-(2,5-difluoroanilino)benzenecarboximidamide
CID 142468164
N'-[amino(2-hydroxyethyl)amino]-2-[4-(trifluoromethyl)anilino]benzenecarboximidamide;thietane
CID 142468067
N'-[amino(2-hydroxyethyl)amino]-2-(3-heptylanilino)benzenecarboximidamide
CID 142468274
N'-[amino(2-hydroxyethyl)amino]-2-[[(3E,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-4-yl]amino]benzenecarboximidamide
CID 142468092
ethyl 2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 19153895
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-(4-ethynyl-2-fluoroanilino)benzamide
CID 140561717
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
4-(2,4-difluoroanilino)-3-fluorobenzenecarbothioamide
CID 43657806
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-methylacetamide
CID 142468369
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255

Frequently Asked Questions

What is the IUPAC name of N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide?
The IUPAC name of N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide (CID 142468065) is N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide.
What is the SMILES notation for N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide?
The canonical SMILES for N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide is N/C(=N\N(N)CCO)c1ccccc1Nc1ccc(F)cc1F.
What is the InChIKey of N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide?
The InChIKey is UALMIZVQNMNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c16-10-5-6-14(12(17)9-10)20-13-4-2-1-3-11(13)15(18)21-22(19)7-8-23/h1-6,9,20,23H,7-8,19H2,(H2,18,21).
What are the key properties of N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide?
N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide has a molecular weight of 321.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino(2-hydroxyethyl)amino]-2-(2,4-difluoroanilino)benzenecarboximidamide is sourced from PubChem (CID 142468065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).