2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride

C16H22ClF3N2O2 — CID 119748722

IUPAC2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-11(21-15(22)9-20-8-12-2-3-12)13-4-6-14(7-5-13)23-10-16(17,18)19;/h4-7,11-12,20H,2-3,8-10H2,1H3,(H,21,22);1H
InChIKeyUBZGMPSCDKGPHC-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.23
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 119748722) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
PubChem CID119748722
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CC1)c1ccc(OCC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-11(21-15(22)9-20-8-12-2-3-12)13-4-6-14(7-5-13)23-10-16(17,18)19;/h4-7,11-12,20H,2-3,8-10H2,1H3,(H,21,22);1H
InChIKeyUBZGMPSCDKGPHC-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-[4-(difluoromethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119720123
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81364541
2-(cyclopropylmethylamino)-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]acetamide
CID 119750150
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride (CID 119748722) is 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride is CC(NC(=O)CNCC1CC1)c1ccc(OCC(F)(F)F)cc1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is UBZGMPSCDKGPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-11(21-15(22)9-20-8-12-2-3-12)13-4-6-14(7-5-13)23-10-16(17,18)19;/h4-7,11-12,20H,2-3,8-10H2,1H3,(H,21,22);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119748722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).