N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride

C12H13Cl2F3N2O — CID 171678638

IUPACN-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H12ClF3N2O.ClH/c13-9-5-7(12(14,15)16)1-2-8(9)10(19)18-6-11(17)3-4-11;/h1-2,5H,3-4,6,17H2,(H,18,19);1H
InChIKeyHGUAGZMSWQFIBG-UHFFFAOYSA-N
MW329.15 g/mol
LogP3.00
Rot. Bonds3

About N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride

N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 171678638) has the molecular formula C12H13Cl2F3N2O and a molecular weight of 329.15 g/mol. Its IUPAC name is N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID171678638
Molecular FormulaC12H13Cl2F3N2O
Molecular Weight329.15 g/mol
Exact Mass328.04
IUPAC NameN-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC1(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H12ClF3N2O.ClH/c13-9-5-7(12(14,15)16)1-2-8(9)10(19)18-6-11(17)3-4-11;/h1-2,5H,3-4,6,17H2,(H,18,19);1H
InChIKeyHGUAGZMSWQFIBG-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-4-(trifluoromethyl)benzamide
CID 143467098
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901624
2-chloro-N-[[1-(4-ethylsulfonylpiperazin-1-yl)-4,4-difluorocyclohexyl]methyl]-4-(trifluoromethyl)benzamide
CID 89482488
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978
N-[(1-aminocyclohexyl)methyl]-2,3,4-trifluorobenzamide;hydrochloride
CID 119404346
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
2-chloro-N-[[4,4-difluoro-1-(3-propylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)cyclohexyl]methyl]-4-(trifluoromethyl)benzamide
CID 89482763
2-chloro-N-ethyl-4-(trifluoromethyl)benzamide;ethane;1-ethylsulfonyl-4-methyl-4-(2-methylpropyl)piperidine
CID 143452840
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride (CID 171678638) is N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride is Cl.NC1(CNC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is HGUAGZMSWQFIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O.ClH/c13-9-5-7(12(14,15)16)1-2-8(9)10(19)18-6-11(17)3-4-11;/h1-2,5H,3-4,6,17H2,(H,18,19);1H.
What are the key properties of N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride?
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 329.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 171678638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).