4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide

C13H18FN3O2 — CID 66197069

IUPAC4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide
SMILESCCOC1CC(N)C1Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-19-11-6-9(15)12(11)17-10-4-3-7(13(16)18)5-8(10)14/h3-5,9,11-12,17H,2,6,15H2,1H3,(H2,16,18)
InChIKeyOWKAMGJKNAKSSL-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.84
Rot. Bonds5

About 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide

4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide (PubChem CID 66197069) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide
PubChem CID66197069
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide
SMILESCCOC1CC(N)C1Nc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-19-11-6-9(15)12(11)17-10-4-3-7(13(16)18)5-8(10)14/h3-5,9,11-12,17H,2,6,15H2,1H3,(H2,16,18)
InChIKeyOWKAMGJKNAKSSL-UHFFFAOYSA-N
XLogP0.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzonitrile
CID 66197260
2-[(2-amino-4-ethoxycyclobutyl)amino]benzamide
CID 66197262
4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
CID 55169514
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
N-(2-amino-4-ethoxycyclobutyl)-2,5-difluorobenzamide
CID 66197031
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677163
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-5-methylbenzamide
CID 66196271
2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile
CID 66197058
2-N-[5-bromo-2-(trifluoromethyl)phenyl]-3-ethoxycyclobutane-1,2-diamine
CID 107286938
2-N-(2,3-difluoro-6-nitrophenyl)-3-ethoxycyclobutane-1,2-diamine
CID 66196688
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224
5-[(2-amino-4-ethoxycyclobutyl)amino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114446097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide?
The IUPAC name of 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide (CID 66197069) is 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide is CCOC1CC(N)C1Nc1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide?
The InChIKey is OWKAMGJKNAKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-19-11-6-9(15)12(11)17-10-4-3-7(13(16)18)5-8(10)14/h3-5,9,11-12,17H,2,6,15H2,1H3,(H2,16,18).
What are the key properties of 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide?
4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-ethoxycyclobutyl)amino]-3-fluorobenzamide is sourced from PubChem (CID 66197069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).