2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

C19H21F2N3O — CID 108743754

IUPAC2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cc(F)ccc3F)cc2)CC1
InChIInChI=1S/C19H21F2N3O/c1-23-8-10-24(11-9-23)13-14-2-5-16(6-3-14)22-19(25)17-12-15(20)4-7-18(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLYTPYFCWVSWRIY-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.96
Rot. Bonds4

About 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 108743754) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID108743754
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2ccc(NC(=O)c3cc(F)ccc3F)cc2)CC1
InChIInChI=1S/C19H21F2N3O/c1-23-8-10-24(11-9-23)13-14-2-5-16(6-3-14)22-19(25)17-12-15(20)4-7-18(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyLYTPYFCWVSWRIY-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 177382176
4-chloro-N-[4-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524261
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
2-fluoro-5-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 114012213
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (CID 108743754) is 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is CN1CCN(Cc2ccc(NC(=O)c3cc(F)ccc3F)cc2)CC1.
What is the InChIKey of 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is LYTPYFCWVSWRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-23-8-10-24(11-9-23)13-14-2-5-16(6-3-14)22-19(25)17-12-15(20)4-7-18(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 345.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 108743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).