N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride

C16H24ClF2N3O2 — CID 119508620

IUPACN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C.Cl
InChIInChI=1S/C16H23F2N3O2.ClH/c1-4-19-8-9-20-16(23)14(10(2)3)21-15(22)13-11(17)6-5-7-12(13)18;/h5-7,10,14,19H,4,8-9H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyNUFVZSMVQHLCMA-UHFFFAOYSA-N
MW363.84 g/mol
LogP1.87
Rot. Bonds8

About N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride

N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride (PubChem CID 119508620) has the molecular formula C16H24ClF2N3O2 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
PubChem CID119508620
Molecular FormulaC16H24ClF2N3O2
Molecular Weight363.84 g/mol
Exact Mass363.15
IUPAC NameN-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C.Cl
InChIInChI=1S/C16H23F2N3O2.ClH/c1-4-19-8-9-20-16(23)14(10(2)3)21-15(22)13-11(17)6-5-7-12(13)18;/h5-7,10,14,19H,4,8-9H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeyNUFVZSMVQHLCMA-UHFFFAOYSA-N
XLogP1.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(2R)-1-(3-hydroxypropylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 97012243
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-ynylamino)butan-2-yl]benzamide
CID 30600780
N-[(2R)-1-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 94145988
5-[[2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoyl]amino]pentanoic acid
CID 119234490
N-[(2R)-1-(3,3-diphenylpropylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 2104226
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
N-[(2S)-1-anilino-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 7024146
2,6-difluoro-N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43011713
2,6-difluoro-N-[(2S)-1-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120947312
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]butan-2-yl]benzamide
CID 34978740
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride?
The IUPAC name of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride (CID 119508620) is N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride is CCNCCNC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C.Cl.
What is the InChIKey of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride?
The InChIKey is NUFVZSMVQHLCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2.ClH/c1-4-19-8-9-20-16(23)14(10(2)3)21-15(22)13-11(17)6-5-7-12(13)18;/h5-7,10,14,19H,4,8-9H2,1-3H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride?
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride has a molecular weight of 363.84 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide;hydrochloride is sourced from PubChem (CID 119508620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).