2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

C19H23Cl2F2N3O — CID 141257396

IUPAC2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl
InChIInChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H
InChIKeyYGZYRJHLCCGMHP-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.57
Rot. Bonds4

About 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride

2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (PubChem CID 141257396) has the molecular formula C19H23Cl2F2N3O and a molecular weight of 418.32 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
PubChem CID141257396
Molecular FormulaC19H23Cl2F2N3O
Molecular Weight418.32 g/mol
Exact Mass417.12
IUPAC Name2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl
InChIInChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H
InChIKeyYGZYRJHLCCGMHP-UHFFFAOYSA-N
XLogP4.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
methyl N-[3-[(1-methylazepan-4-yl)amino]phenyl]carbamate
CID 65070487
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
CID 87211381
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 99842043
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The IUPAC name of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride (CID 141257396) is 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is CN1CCC(Nc2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1.Cl.Cl.
What is the InChIKey of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
The InChIKey is YGZYRJHLCCGMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O.2ClH/c1-24-9-7-14(8-10-24)22-15-3-2-4-16(12-15)23-19(25)17-11-13(20)5-6-18(17)21;;/h2-6,11-12,14,22H,7-10H2,1H3,(H,23,25);2*1H.
What are the key properties of 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride?
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride has a molecular weight of 418.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 141257396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).