N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide

C22H23FN2O3 — CID 172887492

IUPACN-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide
SMILESC=CC(=O)N1CCC(c2ccccc2C(=O)Nc2cc(OC)ccc2F)CC1
InChIInChI=1S/C22H23FN2O3/c1-3-21(26)25-12-10-15(11-13-25)17-6-4-5-7-18(17)22(27)24-20-14-16(28-2)8-9-19(20)23/h3-9,14-15H,1,10-13H2,2H3,(H,24,27)
InChIKeyCPRACRDEDGXHJZ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.98
Rot. Bonds5

About N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide

N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide (PubChem CID 172887492) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide
PubChem CID172887492
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide
SMILESC=CC(=O)N1CCC(c2ccccc2C(=O)Nc2cc(OC)ccc2F)CC1
InChIInChI=1S/C22H23FN2O3/c1-3-21(26)25-12-10-15(11-13-25)17-6-4-5-7-18(17)22(27)24-20-14-16(28-2)8-9-19(20)23/h3-9,14-15H,1,10-13H2,2H3,(H,24,27)
InChIKeyCPRACRDEDGXHJZ-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'}

Analyze N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
2-fluoro-6-methoxy-N-[4-(1-prop-2-enoylpiperidin-4-yl)phenyl]benzamide
CID 172889479
1-[4-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 167886409
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
5-[1-[(2,4-dimethoxyphenyl)carbamoyl]piperidin-4-yl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50818647
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide (CID 172887492) is N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide is C=CC(=O)N1CCC(c2ccccc2C(=O)Nc2cc(OC)ccc2F)CC1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide?
The InChIKey is CPRACRDEDGXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-3-21(26)25-12-10-15(11-13-25)17-6-4-5-7-18(17)22(27)24-20-14-16(28-2)8-9-19(20)23/h3-9,14-15H,1,10-13H2,2H3,(H,24,27).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide?
N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)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 N-(2-fluoro-5-methoxyphenyl)-2-(1-prop-2-enoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 172887492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).