N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride

C17H23ClF3N3O2 — CID 119732650

IUPACN-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
SMILESCCN(Cc1cccc(NC(=O)CNCC2CC2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)11-13-4-3-5-14(8-13)22-15(24)10-21-9-12-6-7-12;/h3-5,8,12,21H,2,6-7,9-11H2,1H3,(H,22,24);1H
InChIKeyZHGWOUYFESNGTR-UHFFFAOYSA-N
MW393.84 g/mol
LogP2.96
Rot. Bonds8

About N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride

N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 119732650) has the molecular formula C17H23ClF3N3O2 and a molecular weight of 393.84 g/mol. Its IUPAC name is N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID119732650
Molecular FormulaC17H23ClF3N3O2
Molecular Weight393.84 g/mol
Exact Mass393.14
IUPAC NameN-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride
SMILESCCN(Cc1cccc(NC(=O)CNCC2CC2)c1)C(=O)C(F)(F)F.Cl
InChIInChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)11-13-4-3-5-14(8-13)22-15(24)10-21-9-12-6-7-12;/h3-5,8,12,21H,2,6-7,9-11H2,1H3,(H,22,24);1H
InChIKeyZHGWOUYFESNGTR-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119732638
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119732670
N-[[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide
CID 43068641
N-ethyl-2,2,2-trifluoro-N-[[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]methyl]acetamide
CID 55674010
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-phenoxybutanamide
CID 55643203
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
2,2,2-trifluoro-N-[[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119732278
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43072108
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
(2S)-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94809125
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride (CID 119732650) is N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride is CCN(Cc1cccc(NC(=O)CNCC2CC2)c1)C(=O)C(F)(F)F.Cl.
What is the InChIKey of N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is ZHGWOUYFESNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2.ClH/c1-2-23(16(25)17(18,19)20)11-13-4-3-5-14(8-13)22-15(24)10-21-9-12-6-7-12;/h3-5,8,12,21H,2,6-7,9-11H2,1H3,(H,22,24);1H.
What are the key properties of N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride?
N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 393.84 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 119732650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).