1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

C15H20F2N2O2 — CID 81485479

IUPAC1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)9-19-13(20)15(10-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20)
InChIKeyNDEACIBWMWNKCG-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.42
Rot. Bonds6

About 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 81485479) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID81485479
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)9-19-13(20)15(10-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20)
InChIKeyNDEACIBWMWNKCG-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 64892174
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylcyclobutane-1-carboxamide
CID 115447918
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
4-(aminomethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
CID 120920598
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide (CID 81485479) is 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is NCC1(C(=O)NCc2ccc(OC(F)F)cc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is NDEACIBWMWNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)9-19-13(20)15(10-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81485479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).