N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride

C14H19ClF2N2O — CID 119604124

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O.ClH/c15-11-5-1-3-9(14(11)16)7-13(19)18-12-6-2-4-10(12)8-17;/h1,3,5,10,12H,2,4,6-8,17H2,(H,18,19);1H
InChIKeyVYAHGWVWUSQSMC-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.17
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride (PubChem CID 119604124) has the molecular formula C14H19ClF2N2O and a molecular weight of 304.77 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
PubChem CID119604124
Molecular FormulaC14H19ClF2N2O
Molecular Weight304.77 g/mol
Exact Mass304.12
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)Cc1cccc(F)c1F
InChIInChI=1S/C14H18F2N2O.ClH/c15-11-5-1-3-9(14(11)16)7-13(19)18-12-6-2-4-10(12)8-17;/h1,3,5,10,12H,2,4,6-8,17H2,(H,18,19);1H
InChIKeyVYAHGWVWUSQSMC-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119602373
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
N-(2-amino-1-cyclopropylethyl)-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119616566
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
N-[(2-bromocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114313972
N-[(2-chlorocyclopentyl)methyl]-2-(2,3-difluorophenyl)acetamide
CID 114303281
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride (CID 119604124) is N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride is Cl.NCC1CCCC1NC(=O)Cc1cccc(F)c1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride?
The InChIKey is VYAHGWVWUSQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O.ClH/c15-11-5-1-3-9(14(11)16)7-13(19)18-12-6-2-4-10(12)8-17;/h1,3,5,10,12H,2,4,6-8,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride has a molecular weight of 304.77 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119604124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).