N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C16H21Cl2FN2O — CID 119568012

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC2c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C16H20ClFN2O.ClH/c17-12-4-3-5-13(18)14(12)10-8-11(10)15(21)20-16(9-19)6-1-2-7-16;/h3-5,10-11H,1-2,6-9,19H2,(H,20,21);1H
InChIKeyPRRSWMPTRVPZJL-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.39
Rot. Bonds4

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

N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119568012) has the molecular formula C16H21Cl2FN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119568012
Molecular FormulaC16H21Cl2FN2O
Molecular Weight347.26 g/mol
Exact Mass346.10
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)C2CC2c2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C16H20ClFN2O.ClH/c17-12-4-3-5-13(18)14(12)10-8-11(10)15(21)20-16(9-19)6-1-2-7-16;/h3-5,10-11H,1-2,6-9,19H2,(H,20,21);1H
InChIKeyPRRSWMPTRVPZJL-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 119565151
N-[1-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 86813826
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119433671
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 63887000
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 120803863
N-[3-(aminomethyl)pentan-3-yl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119569950
3-(2-chloro-6-fluorophenyl)-N-[1-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 76945871
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
2-(2-chloro-6-fluorophenyl)-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119428601
3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579868

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119568012) is N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NCC1(NC(=O)C2CC2c2c(F)cccc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is PRRSWMPTRVPZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O.ClH/c17-12-4-3-5-13(18)14(12)10-8-11(10)15(21)20-16(9-19)6-1-2-7-16;/h3-5,10-11H,1-2,6-9,19H2,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 347.26 g/mol, XLogP of 3.39, 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]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119568012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).