2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide

C22H23FN2O3 — CID 172889479

IUPAC2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
SMILESC=CC(=O)N1CCC(c2ccc(NC(=O)c3c(F)cccc3OC)cc2)CC1
InChIInChI=1S/C22H23FN2O3/c1-3-20(26)25-13-11-16(12-14-25)15-7-9-17(10-8-15)24-22(27)21-18(23)5-4-6-19(21)28-2/h3-10,16H,1,11-14H2,2H3,(H,24,27)
InChIKeyMZIXFDJJDGLOGB-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.98
Rot. Bonds5

About 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide

2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide (PubChem CID 172889479) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
PubChem CID172889479
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
SMILESC=CC(=O)N1CCC(c2ccc(NC(=O)c3c(F)cccc3OC)cc2)CC1
InChIInChI=1S/C22H23FN2O3/c1-3-20(26)25-13-11-16(12-14-25)15-7-9-17(10-8-15)24-22(27)21-18(23)5-4-6-19(21)28-2/h3-10,16H,1,11-14H2,2H3,(H,24,27)
InChIKeyMZIXFDJJDGLOGB-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]-3-fluoro-2-nitrobenzamide
CID 171684890
1-[4-[2-(2-fluoro-6-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166410765
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
2-chloro-6-methoxy-N-[4-[1-(2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171681200
1-(3-fluoro-2-methylphenyl)-3-[3-(1-prop-2-enoylpiperidin-4-yl)phenyl]urea
CID 172888096
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053
N-[4-(2-aminoethyl)phenyl]-2-fluoro-6-methoxybenzamide
CID 65433013
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415
3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide
CID 172887237

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide (CID 172889479) is 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide is C=CC(=O)N1CCC(c2ccc(NC(=O)c3c(F)cccc3OC)cc2)CC1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide?
The InChIKey is MZIXFDJJDGLOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-20(26)25-13-11-16(12-14-25)15-7-9-17(10-8-15)24-22(27)21-18(23)5-4-6-19(21)28-2/h3-10,16H,1,11-14H2,2H3,(H,24,27).
What are the key properties of 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide?
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 172889479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).