2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride

C16H22ClF2N3O3 — CID 120791947

IUPAC2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H21F2N3O3.ClH/c1-21(16(23)15(19)10-2-4-24-5-3-10)9-14(22)20-13-7-11(17)6-12(18)8-13;/h6-8,10,15H,2-5,9,19H2,1H3,(H,20,22);1H
InChIKeyXFWLIBWCRRFCMW-UHFFFAOYSA-N
MW377.82 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120791947) has the molecular formula C16H22ClF2N3O3 and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120791947
Molecular FormulaC16H22ClF2N3O3
Molecular Weight377.82 g/mol
Exact Mass377.13
IUPAC Name2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C16H21F2N3O3.ClH/c1-21(16(23)15(19)10-2-4-24-5-3-10)9-14(22)20-13-7-11(17)6-12(18)8-13;/h6-8,10,15H,2-5,9,19H2,1H3,(H,20,22);1H
InChIKeyXFWLIBWCRRFCMW-UHFFFAOYSA-N
XLogP1.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide;hydrochloride
CID 120787755
2-amino-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783916
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783983
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
3-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119772016
4-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methylpentanamide;hydrochloride
CID 120562179
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119772010
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride (CID 120791947) is 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is XFWLIBWCRRFCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3.ClH/c1-21(16(23)15(19)10-2-4-24-5-3-10)9-14(22)20-13-7-11(17)6-12(18)8-13;/h6-8,10,15H,2-5,9,19H2,1H3,(H,20,22);1H.
What are the key properties of 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 377.82 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120791947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).