N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide

C13H17FN2O — CID 164882968

IUPACN-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(N)c(F)c2)CCC1
InChIInChI=1S/C13H17FN2O/c1-2-13(6-3-7-13)12(17)16-9-4-5-11(15)10(14)8-9/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeySRDJAXYYYIBKKK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.93
Rot. Bonds3

About N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide

N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide (PubChem CID 164882968) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
PubChem CID164882968
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide
SMILESCCC1(C(=O)Nc2ccc(N)c(F)c2)CCC1
InChIInChI=1S/C13H17FN2O/c1-2-13(6-3-7-13)12(17)16-9-4-5-11(15)10(14)8-9/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeySRDJAXYYYIBKKK-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
2-[4-[(1-ethylcyclopropanecarbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109613
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
2-chloro-4-[(1-ethylcyclobutanecarbonyl)amino]benzoic acid
CID 119178935
(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
CID 130553884
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
N-(6-amino-3-pyridinyl)-1-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119515973
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 64782595
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119547298
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide (CID 164882968) is N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide is CCC1(C(=O)Nc2ccc(N)c(F)c2)CCC1.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide?
The InChIKey is SRDJAXYYYIBKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-13(6-3-7-13)12(17)16-9-4-5-11(15)10(14)8-9/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide?
N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)-1-ethylcyclobutane-1-carboxamide is sourced from PubChem (CID 164882968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).