4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide

C18H28FN3O2 — CID 122145119

IUPAC4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1cc(C(=O)NCC(C(C)C)N2CCN(C)CC2)ccc1F
InChIInChI=1S/C18H28FN3O2/c1-13(2)16(22-9-7-21(3)8-10-22)12-20-18(23)14-5-6-15(19)17(11-14)24-4/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,20,23)
InChIKeyCZRUJNDOWVJVTA-UHFFFAOYSA-N
MW337.44 g/mol
LogP1.84
Rot. Bonds6

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

4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 122145119) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID122145119
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1cc(C(=O)NCC(C(C)C)N2CCN(C)CC2)ccc1F
InChIInChI=1S/C18H28FN3O2/c1-13(2)16(22-9-7-21(3)8-10-22)12-20-18(23)14-5-6-15(19)17(11-14)24-4/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,20,23)
InChIKeyCZRUJNDOWVJVTA-UHFFFAOYSA-N
XLogP1.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
4-fluoro-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 95314936
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990737
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-(methylsulfonylmethyl)benzamide
CID 86984978
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
3,6-dichloro-2-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide
CID 110403154
3-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402974
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide (CID 122145119) is 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide is COc1cc(C(=O)NCC(C(C)C)N2CCN(C)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is CZRUJNDOWVJVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-13(2)16(22-9-7-21(3)8-10-22)12-20-18(23)14-5-6-15(19)17(11-14)24-4/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,20,23).
What are the key properties of 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide?
4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 337.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 122145119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).