1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride

C16H22ClF2N3O2 — CID 119266618

IUPAC1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C16H21F2N3O2.ClH/c1-2-21(15(23)16(19)8-3-4-9-16)10-13(22)20-14-11(17)6-5-7-12(14)18;/h5-7H,2-4,8-10,19H2,1H3,(H,20,22);1H
InChIKeyYYKCNPWLFNVQNU-UHFFFAOYSA-N
MW361.82 g/mol
LogP2.45
Rot. Bonds5

About 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride

1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 119266618) has the molecular formula C16H22ClF2N3O2 and a molecular weight of 361.82 g/mol. Its IUPAC name is 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
PubChem CID119266618
Molecular FormulaC16H22ClF2N3O2
Molecular Weight361.82 g/mol
Exact Mass361.14
IUPAC Name1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(N)CCCC1.Cl
InChIInChI=1S/C16H21F2N3O2.ClH/c1-2-21(15(23)16(19)8-3-4-9-16)10-13(22)20-14-11(17)6-5-7-12(14)18;/h5-7H,2-4,8-10,19H2,1H3,(H,20,22);1H
InChIKeyYYKCNPWLFNVQNU-UHFFFAOYSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;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

3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
2-[cyclohexylcarbamothioyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 2462702
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
2,5-dichloro-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 38369368
2-[[2-(4-bromophenoxy)acetyl]-ethylamino]-N-(2,6-difluorophenyl)acetamide
CID 26266273
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119312671
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
1-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 65465097
2-(2,4-dichlorophenyl)-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylacetamide
CID 38369391
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 24979798

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride (CID 119266618) is 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(N)CCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YYKCNPWLFNVQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2.ClH/c1-2-21(15(23)16(19)8-3-4-9-16)10-13(22)20-14-11(17)6-5-7-12(14)18;/h5-7H,2-4,8-10,19H2,1H3,(H,20,22);1H.
What are the key properties of 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 361.82 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119266618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).