4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

C19H21BrFN3O — CID 60579919

IUPAC4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1
InChIInChI=1S/C19H21BrFN3O/c1-23-7-9-24(10-8-23)13-14-3-2-4-16(11-14)22-19(25)17-6-5-15(20)12-18(17)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyYOWMGCQVVLHRHR-UHFFFAOYSA-N
MW406.30 g/mol
LogP3.59
Rot. Bonds4

About 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide

4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (PubChem CID 60579919) has the molecular formula C19H21BrFN3O and a molecular weight of 406.30 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
PubChem CID60579919
Molecular FormulaC19H21BrFN3O
Molecular Weight406.30 g/mol
Exact Mass405.09
IUPAC Name4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
SMILESCN1CCN(Cc2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1
InChIInChI=1S/C19H21BrFN3O/c1-23-7-9-24(10-8-23)13-14-3-2-4-16(11-14)22-19(25)17-6-5-15(20)12-18(17)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyYOWMGCQVVLHRHR-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-bromo-2-fluorobenzamide
CID 55167424
1-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86839426
(4-bromo-2-fluorophenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725495
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
3-[3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120613822
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 47072037
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
N-(3-bromophenyl)-3-[(4-butanoylpiperazin-1-yl)methyl]benzamide
CID 130255020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide (CID 60579919) is 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is CN1CCN(Cc2cccc(NC(=O)c3ccc(Br)cc3F)c2)CC1.
What is the InChIKey of 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
The InChIKey is YOWMGCQVVLHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFN3O/c1-23-7-9-24(10-8-23)13-14-3-2-4-16(11-14)22-19(25)17-6-5-15(20)12-18(17)21/h2-6,11-12H,7-10,13H2,1H3,(H,22,25).
What are the key properties of 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide?
4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide has a molecular weight of 406.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 60579919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).