1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide

C16H22F2N2O — CID 81486715

IUPAC1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H22F2N2O/c1-11(9-12-13(17)5-4-6-14(12)18)20-15(21)16(10-19)7-2-3-8-16/h4-6,11H,2-3,7-10,19H2,1H3,(H,20,21)
InChIKeyDRHLZCCPMCABGG-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.53
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 81486715) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID81486715
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C16H22F2N2O/c1-11(9-12-13(17)5-4-6-14(12)18)20-15(21)16(10-19)7-2-3-8-16/h4-6,11H,2-3,7-10,19H2,1H3,(H,20,21)
InChIKeyDRHLZCCPMCABGG-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81490077
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
1-(aminomethyl)-N-[1-(2-chlorophenyl)propan-2-yl]cyclobutane-1-carboxamide
CID 115447507
1-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 113311585
4-(aminomethyl)-N-[1-(2-fluorophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120924178
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-[1-(aminomethyl)cycloheptyl]-2-(2,6-difluorophenyl)ethanone
CID 114935488
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide (CID 81486715) is 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide is CC(Cc1c(F)cccc1F)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is DRHLZCCPMCABGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(9-12-13(17)5-4-6-14(12)18)20-15(21)16(10-19)7-2-3-8-16/h4-6,11H,2-3,7-10,19H2,1H3,(H,20,21).
What are the key properties of 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81486715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).