2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide

C19H27F2N3O2 — CID 55717928

IUPAC2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
SMILESCC1CCN(CCNC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H27F2N3O2/c1-14-6-10-24(11-7-14)12-9-22-18(25)3-2-8-23-19(26)16-5-4-15(20)13-17(16)21/h4-5,13-14H,2-3,6-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyBVYRUGAYUYVYEE-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.32
Rot. Bonds8

About 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide

2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide (PubChem CID 55717928) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
PubChem CID55717928
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC Name2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
SMILESCC1CCN(CCNC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H27F2N3O2/c1-14-6-10-24(11-7-14)12-9-22-18(25)3-2-8-23-19(26)16-5-4-15(20)13-17(16)21/h4-5,13-14H,2-3,6-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyBVYRUGAYUYVYEE-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
2,4-difluoro-N-[4-oxo-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]butyl]benzamide
CID 55931924
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[4-[methyl-(4-methylcyclohexyl)amino]-4-oxobutyl]benzamide
CID 32917114
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide (CID 55717928) is 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide is CC1CCN(CCNC(=O)CCCNC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide?
The InChIKey is BVYRUGAYUYVYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-14-6-10-24(11-7-14)12-9-22-18(25)3-2-8-23-19(26)16-5-4-15(20)13-17(16)21/h4-5,13-14H,2-3,6-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide?
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide has a molecular weight of 367.44 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55717928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).