N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride

C15H21ClF2N2O2 — CID 119609331

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-12-7-5-10(6-8-12)14(20)19-13-4-2-1-3-11(13)9-18;/h5-8,11,13,15H,1-4,9,18H2,(H,19,20);1H
InChIKeyLPLVLYWALLXIRB-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride (PubChem CID 119609331) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
PubChem CID119609331
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-12-7-5-10(6-8-12)14(20)19-13-4-2-1-3-11(13)9-18;/h5-8,11,13,15H,1-4,9,18H2,(H,19,20);1H
InChIKeyLPLVLYWALLXIRB-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119604415
N-(2-chlorocyclopentyl)-4-(difluoromethoxy)benzamide
CID 106443998
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
CID 119611041
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride (CID 119609331) is N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride?
The InChIKey is LPLVLYWALLXIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-12-7-5-10(6-8-12)14(20)19-13-4-2-1-3-11(13)9-18;/h5-8,11,13,15H,1-4,9,18H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119609331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).