3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

C16H23FN2O3 — CID 119785349

IUPAC3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-9(19-16(20)10-4-5-11(18)6-10)12-7-14(21-2)15(22-3)8-13(12)17/h7-11H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyGOBODJSPXJDSBV-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.15
Rot. Bonds5

About 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide

3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119785349) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119785349
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2CCC(N)C2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-9(19-16(20)10-4-5-11(18)6-10)12-7-14(21-2)15(22-3)8-13(12)17/h7-11H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyGOBODJSPXJDSBV-UHFFFAOYSA-N
XLogP2.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119785388
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445
N-[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 95967411
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-5-methylpyrazolidine-3-carboxamide
CID 134068445
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 63043413
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
3-amino-N-[1-(5-chloro-2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 119798178
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 119785349) is 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1cc(F)c(C(C)NC(=O)C2CCC(N)C2)cc1OC.
What is the InChIKey of 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is GOBODJSPXJDSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-9(19-16(20)10-4-5-11(18)6-10)12-7-14(21-2)15(22-3)8-13(12)17/h7-11H,4-6,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119785349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).