2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide

C14H19FN2O — CID 82763607

IUPAC2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCC1N
InChIInChI=1S/C14H19FN2O/c1-14(7-3-6-12(14)16)13(18)17-9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H,17,18)
InChIKeySHTAEESBYHFHFI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide

2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 82763607) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID82763607
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCC1N
InChIInChI=1S/C14H19FN2O/c1-14(7-3-6-12(14)16)13(18)17-9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H,17,18)
InChIKeySHTAEESBYHFHFI-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
methyl 1-[(3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184452
1-carbamothioyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592746
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide (CID 82763607) is 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2cccc(F)c2)CCCC1N.
What is the InChIKey of 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is SHTAEESBYHFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(7-3-6-12(14)16)13(18)17-9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).