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

C16H23FN2O3 — CID 119324647

IUPAC1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2(N)CCCC2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-10(19-15(20)16(18)6-4-5-7-16)11-8-13(21-2)14(22-3)9-12(11)17/h8-10H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyNXOFEGOPTIQFML-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.29
Rot. Bonds5

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

1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 119324647) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID119324647
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
SMILESCOc1cc(F)c(C(C)NC(=O)C2(N)CCCC2)cc1OC
InChIInChI=1S/C16H23FN2O3/c1-10(19-15(20)16(18)6-4-5-7-16)11-8-13(21-2)14(22-3)9-12(11)17/h8-10H,4-7,18H2,1-3H3,(H,19,20)
InChIKeyNXOFEGOPTIQFML-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
2,2,3,3-tetrafluoro-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]propanamide
CID 122146702
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
2-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]pentanamide
CID 119324653

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide (CID 119324647) is 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is COc1cc(F)c(C(C)NC(=O)C2(N)CCCC2)cc1OC.
What is the InChIKey of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is NXOFEGOPTIQFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-10(19-15(20)16(18)6-4-5-7-16)11-8-13(21-2)14(22-3)9-12(11)17/h8-10H,4-7,18H2,1-3H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide?
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119324647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).