N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide

C16H23FN4O3 — CID 90153646

IUPACN-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide
SMILESCC(=O)NC(=O)c1c(N2CCN(C)CC2)ccc(OCCN)c1F
InChIInChI=1S/C16H23FN4O3/c1-11(22)19-16(23)14-12(21-8-6-20(2)7-9-21)3-4-13(15(14)17)24-10-5-18/h3-4H,5-10,18H2,1-2H3,(H,19,22,23)
InChIKeyCVLJPICHWLAYJM-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.19
Rot. Bonds5

About N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide

N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide (PubChem CID 90153646) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide
PubChem CID90153646
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide
SMILESCC(=O)NC(=O)c1c(N2CCN(C)CC2)ccc(OCCN)c1F
InChIInChI=1S/C16H23FN4O3/c1-11(22)19-16(23)14-12(21-8-6-20(2)7-9-21)3-4-13(15(14)17)24-10-5-18/h3-4H,5-10,18H2,1-2H3,(H,19,22,23)
InChIKeyCVLJPICHWLAYJM-UHFFFAOYSA-N
XLogP0.19
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 146014465
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CID 3217688
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CID 70691550
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CID 155538887
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CID 807776
CID 807776
CID 4459139
CID 4459139
CID 10643697
CID 10643697
CID 979227
CID 979227
CID 57797614
CID 57797614
CID 73505179
CID 73505179
CID 155338590
CID 155338590
CID 1086051
CID 1086051

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide (CID 90153646) is N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide is CC(=O)NC(=O)c1c(N2CCN(C)CC2)ccc(OCCN)c1F.
What is the InChIKey of N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is CVLJPICHWLAYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-11(22)19-16(23)14-12(21-8-6-20(2)7-9-21)3-4-13(15(14)17)24-10-5-18/h3-4H,5-10,18H2,1-2H3,(H,19,22,23).
What are the key properties of N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide?
N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 338.38 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-(2-aminoethoxy)-2-fluoro-6-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 90153646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).