N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

C16H23ClF2N2O3S — CID 119610407

IUPACN-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H22F2N2O3S.ClH/c17-16(18)24(22,23)13-7-5-11(6-8-13)9-15(21)20-14-4-2-1-3-12(14)10-19;/h5-8,12,14,16H,1-4,9-10,19H2,(H,20,21);1H
InChIKeyDYKMSFVCEOCIGG-UHFFFAOYSA-N
MW396.89 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (PubChem CID 119610407) has the molecular formula C16H23ClF2N2O3S and a molecular weight of 396.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
PubChem CID119610407
Molecular FormulaC16H23ClF2N2O3S
Molecular Weight396.89 g/mol
Exact Mass396.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H22F2N2O3S.ClH/c17-16(18)24(22,23)13-7-5-11(6-8-13)9-15(21)20-14-4-2-1-3-12(14)10-19;/h5-8,12,14,16H,1-4,9-10,19H2,(H,20,21);1H
InChIKeyDYKMSFVCEOCIGG-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-aminophenyl)acetamide
CID 122080741
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119611009
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119573606
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
N-[2-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119600531
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
N-[2-(aminomethyl)cyclopentyl]-2-(4-butylphenyl)acetamide
CID 119604897
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119601815

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride (CID 119610407) is N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
The InChIKey is DYKMSFVCEOCIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S.ClH/c17-16(18)24(22,23)13-7-5-11(6-8-13)9-15(21)20-14-4-2-1-3-12(14)10-19;/h5-8,12,14,16H,1-4,9-10,19H2,(H,20,21);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119610407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).