N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide

C18H20FN3O3 — CID 110452130

IUPACN-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide
SMILESCC(=O)N(C)CCOc1ccc(NC(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)22(2)9-10-25-15-6-4-14(5-7-15)21-18(24)16-11-13(19)3-8-17(16)20/h3-8,11H,9-10,20H2,1-2H3,(H,21,24)
InChIKeyHERNKAVENSWBRI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide

N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide (PubChem CID 110452130) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide
PubChem CID110452130
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide
SMILESCC(=O)N(C)CCOc1ccc(NC(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)22(2)9-10-25-15-6-4-14(5-7-15)21-18(24)16-11-13(19)3-8-17(16)20/h3-8,11H,9-10,20H2,1-2H3,(H,21,24)
InChIKeyHERNKAVENSWBRI-UHFFFAOYSA-N
XLogP2.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
5-fluoro-2-hydroxy-N-(4-propoxyphenyl)benzamide
CID 115299069
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-amino-N-[3-(dimethylamino)-4-methylphenyl]-5-fluorobenzamide
CID 115375820
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
2-amino-5-fluoro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 110451935
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide?
The IUPAC name of N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide (CID 110452130) is N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide.
What is the SMILES notation for N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide?
The canonical SMILES for N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide is CC(=O)N(C)CCOc1ccc(NC(=O)c2cc(F)ccc2N)cc1.
What is the InChIKey of N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide?
The InChIKey is HERNKAVENSWBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(23)22(2)9-10-25-15-6-4-14(5-7-15)21-18(24)16-11-13(19)3-8-17(16)20/h3-8,11H,9-10,20H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide?
N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide has a molecular weight of 345.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]-2-amino-5-fluorobenzamide is sourced from PubChem (CID 110452130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).