N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride

C14H19ClFN3O2 — CID 119471204

IUPACN-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCNCC2C)ccc1F.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-9-8-16-5-6-18(9)14(20)11-3-4-12(15)13(7-11)17-10(2)19;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19);1H
InChIKeyNRBKRSRLXFJNSJ-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.64
Rot. Bonds2

About N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride

N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride (PubChem CID 119471204) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
PubChem CID119471204
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)N2CCNCC2C)ccc1F.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-9-8-16-5-6-18(9)14(20)11-3-4-12(15)13(7-11)17-10(2)19;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19);1H
InChIKeyNRBKRSRLXFJNSJ-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82756256
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-bromo-3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704738
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119470635

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride (CID 119471204) is N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1cc(C(=O)N2CCNCC2C)ccc1F.Cl.
What is the InChIKey of N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
The InChIKey is NRBKRSRLXFJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c1-9-8-16-5-6-18(9)14(20)11-3-4-12(15)13(7-11)17-10(2)19;/h3-4,7,9,16H,5-6,8H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride?
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119471204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).