N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide

C14H18F2N2O — CID 115365383

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
SMILESNCC1(CNC(=O)c2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-4-3-10(7-12(11)16)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19)
InChIKeyDEQOUDDKZSACJF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide (PubChem CID 115365383) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
PubChem CID115365383
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
SMILESNCC1(CNC(=O)c2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C14H18F2N2O/c15-11-4-3-10(7-12(11)16)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19)
InChIKeyDEQOUDDKZSACJF-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
4-amino-3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357758
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-[[1-(aminomethyl)cyclobutyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 115267482
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-fluoro-3-methylbenzamide
CID 113294723
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide (CID 115365383) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide is NCC1(CNC(=O)c2ccc(F)c(F)c2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide?
The InChIKey is DEQOUDDKZSACJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-4-3-10(7-12(11)16)13(19)18-9-14(8-17)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,19).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 115365383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).