2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride

C14H18ClF3N2O — CID 119806409

IUPAC2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
SMILESCNCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-18-9-12(20)19-13(6-3-7-13)10-4-2-5-11(8-10)14(15,16)17;/h2,4-5,8,18H,3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyAVVLMSNLFYWXPV-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.84
Rot. Bonds4

About 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride

2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride (PubChem CID 119806409) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
PubChem CID119806409
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
SMILESCNCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C14H17F3N2O.ClH/c1-18-9-12(20)19-13(6-3-7-13)10-4-2-5-11(8-10)14(15,16)17;/h2,4-5,8,18H,3,6-7,9H2,1H3,(H,19,20);1H
InChIKeyAVVLMSNLFYWXPV-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
CID 119805138
N-tert-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 166663654
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride (CID 119806409) is 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride is CNCC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl.
What is the InChIKey of 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride?
The InChIKey is AVVLMSNLFYWXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c1-18-9-12(20)19-13(6-3-7-13)10-4-2-5-11(8-10)14(15,16)17;/h2,4-5,8,18H,3,6-7,9H2,1H3,(H,19,20);1H.
What are the key properties of 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride?
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride is sourced from PubChem (CID 119806409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).