N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide

C19H23FN2O4 — CID 16778120

IUPACN-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2F)cc(OCC)c1OCC
InChIInChI=1S/C19H23FN2O4/c1-4-24-16-9-12(10-17(25-5-2)18(16)26-6-3)19(23)22-15-11-13(21)7-8-14(15)20/h7-11H,4-6,21H2,1-3H3,(H,22,23)
InChIKeyIVBBGXBGUHIUMC-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.86
Rot. Bonds8

About N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide

N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide (PubChem CID 16778120) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
PubChem CID16778120
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2F)cc(OCC)c1OCC
InChIInChI=1S/C19H23FN2O4/c1-4-24-16-9-12(10-17(25-5-2)18(16)26-6-3)19(23)22-15-11-13(21)7-8-14(15)20/h7-11H,4-6,21H2,1-3H3,(H,22,23)
InChIKeyIVBBGXBGUHIUMC-UHFFFAOYSA-N
XLogP3.86
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
N-(5-amino-2-fluorophenyl)-4-propan-2-ylbenzamide
CID 18072371
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
CID 1339210
N-(5-amino-2-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114818556
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N'-(5-chloro-2-fluorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 26586710

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide (CID 16778120) is N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2cc(N)ccc2F)cc(OCC)c1OCC.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide?
The InChIKey is IVBBGXBGUHIUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-4-24-16-9-12(10-17(25-5-2)18(16)26-6-3)19(23)22-15-11-13(21)7-8-14(15)20/h7-11H,4-6,21H2,1-3H3,(H,22,23).
What are the key properties of N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide?
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide has a molecular weight of 362.40 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 16778120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).