N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H21ClF2N2O — CID 119602373

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O.ClH/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)20-14-6-1-3-9(14)8-19;/h2,4-5,9-11,14H,1,3,6-8,19H2,(H,20,21);1H
InChIKeyGTFKOTPHSCMQGB-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119602373) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119602373
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C16H20F2N2O.ClH/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)20-14-6-1-3-9(14)8-19;/h2,4-5,9-11,14H,1,3,6-8,19H2,(H,20,21);1H
InChIKeyGTFKOTPHSCMQGB-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119602374
trans-(1S,2S)-2-(2,6-difluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 97010636
2-(2,6-difluorophenyl)-N-(2-methylpiperidin-3-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120577001
N-[2-(aminomethyl)cyclohexyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119612033
2-(2,6-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 111471310
N-[2-(aminomethyl)cyclopentyl]-2-(2,3-difluorophenyl)acetamide;hydrochloride
CID 119604124
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119611682
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119569950
2-(2,6-difluorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119451294
9-amino-N-[2-(2,6-difluorophenyl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990096
N-[2-(aminomethyl)cyclopentyl]-4-(2-fluorophenoxy)butanamide;hydrochloride
CID 119603939

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119602373) is N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NCC1CCCC1NC(=O)C1CC1c1c(F)cccc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is GTFKOTPHSCMQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c17-12-4-2-5-13(18)15(12)10-7-11(10)16(21)20-14-6-1-3-9(14)8-19;/h2,4-5,9-11,14H,1,3,6-8,19H2,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.73, 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-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119602373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).