4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide

C13H18FN3O2 — CID 89192526

IUPAC4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
SMILESCCN1CC(NC(=O)c2cc(OC)c(N)cc2F)C1
InChIInChI=1S/C13H18FN3O2/c1-3-17-6-8(7-17)16-13(18)9-4-12(19-2)11(15)5-10(9)14/h4-5,8H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyQUFZEZHOYFILOQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide

4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide (PubChem CID 89192526) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
PubChem CID89192526
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
SMILESCCN1CC(NC(=O)c2cc(OC)c(N)cc2F)C1
InChIInChI=1S/C13H18FN3O2/c1-3-17-6-8(7-17)16-13(18)9-4-12(19-2)11(15)5-10(9)14/h4-5,8H,3,6-7,15H2,1-2H3,(H,16,18)
InChIKeyQUFZEZHOYFILOQ-UHFFFAOYSA-N
XLogP0.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.85
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

4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
4-amino-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide
CID 160693193
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide
CID 10873444
cis-(1R,3S)-3-[(2-fluoro-4,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677489
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-(2-aminoethyl)-2-fluoro-4,5-dimethoxybenzamide
CID 119382400
bis(5-bromo-N-(1,2-diethylpyrazolidin-4-yl)-2,4-dimethoxybenzamide);hydrate
CID 70452962
5-bromo-N-(1,2-diethylpyrazolidin-4-yl)-2,4-dimethoxybenzamide;hydrate
CID 70452963

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide?
The IUPAC name of 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide (CID 89192526) is 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide?
The canonical SMILES for 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide is CCN1CC(NC(=O)c2cc(OC)c(N)cc2F)C1.
What is the InChIKey of 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide?
The InChIKey is QUFZEZHOYFILOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-17-6-8(7-17)16-13(18)9-4-12(19-2)11(15)5-10(9)14/h4-5,8H,3,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide?
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide has a molecular weight of 267.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide is sourced from PubChem (CID 89192526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).