1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

C14H19FN2O2 — CID 81179721

IUPAC1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(N)CCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(17-13(18)14(16)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8-9H,3,6-7,16H2,1-2H3,(H,17,18)
InChIKeyJOJYAXSGTVADOT-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.89
Rot. Bonds4

About 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 81179721) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID81179721
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(N)CCC2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-9(17-13(18)14(16)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8-9H,3,6-7,16H2,1-2H3,(H,17,18)
InChIKeyJOJYAXSGTVADOT-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 81171953
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83064202
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
1-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]cyclohexane-1-carboxamide
CID 119333676
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (CID 81179721) is 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is COc1ccc(C(C)NC(=O)C2(N)CCC2)cc1F.
What is the InChIKey of 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is JOJYAXSGTVADOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(17-13(18)14(16)6-3-7-14)10-4-5-12(19-2)11(15)8-10/h4-5,8-9H,3,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81179721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).