N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide

C19H24FIN4O — CID 111043687

IUPACN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)c2ccc(C)c(F)c2)c1.I
InChIInChI=1S/C19H23FN4O.HI/c1-3-14-5-4-6-16(11-14)24-19(21)23-10-9-22-18(25)15-8-7-13(2)17(20)12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,25)(H3,21,23,24);1H
InChIKeyPXSGMMPRKGWDCU-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.47
Rot. Bonds6

About N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide

N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide (PubChem CID 111043687) has the molecular formula C19H24FIN4O and a molecular weight of 470.33 g/mol. Its IUPAC name is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
PubChem CID111043687
Molecular FormulaC19H24FIN4O
Molecular Weight470.33 g/mol
Exact Mass470.10
IUPAC NameN-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
SMILESCCc1cccc(N/C(N)=N/CCNC(=O)c2ccc(C)c(F)c2)c1.I
InChIInChI=1S/C19H23FN4O.HI/c1-3-14-5-4-6-16(11-14)24-19(21)23-10-9-22-18(25)15-8-7-13(2)17(20)12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,25)(H3,21,23,24);1H
InChIKeyPXSGMMPRKGWDCU-UHFFFAOYSA-N
XLogP3.47
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[amino-(3-methylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043648
N-[2-[[amino(anilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide
CID 110914738
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111043668
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-hydroxybenzamide
CID 111075611
N-[2-[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111720905
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111094994
N-[3-[[amino-(3-ethylanilino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817723
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042937
N-[2-[[amino-(3,4-dimethylanilino)methylidene]amino]ethyl]-4-bromobenzamide;hydroiodide
CID 111075534
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042970
N-[2-[[amino-(3-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide
CID 111042938

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The IUPAC name of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide (CID 111043687) is N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The canonical SMILES for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide is CCc1cccc(N/C(N)=N/CCNC(=O)c2ccc(C)c(F)c2)c1.I.
What is the InChIKey of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
The InChIKey is PXSGMMPRKGWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.HI/c1-3-14-5-4-6-16(11-14)24-19(21)23-10-9-22-18(25)15-8-7-13(2)17(20)12-15;/h4-8,11-12H,3,9-10H2,1-2H3,(H,22,25)(H3,21,23,24);1H.
What are the key properties of N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide?
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide has a molecular weight of 470.33 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-3-fluoro-4-methylbenzamide;hydroiodide is sourced from PubChem (CID 111043687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).