4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide

C24H30ClFN2O2 — CID 42415674

IUPAC4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C24H30ClFN2O2/c1-3-28(24(29)22-10-9-20(25)15-23(22)26)17-19-7-5-12-27(16-19)13-11-18-6-4-8-21(14-18)30-2/h4,6,8-10,14-15,19H,3,5,7,11-13,16-17H2,1-2H3/t19-/m1/s1
InChIKeyNSWVICMGUVEEBN-LJQANCHMSA-N
MW432.97 g/mol
LogP4.90
Rot. Bonds8

About 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide

4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide (PubChem CID 42415674) has the molecular formula C24H30ClFN2O2 and a molecular weight of 432.97 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
PubChem CID42415674
Molecular FormulaC24H30ClFN2O2
Molecular Weight432.97 g/mol
Exact Mass432.20
IUPAC Name4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C24H30ClFN2O2/c1-3-28(24(29)22-10-9-20(25)15-23(22)26)17-19-7-5-12-27(16-19)13-11-18-6-4-8-21(14-18)30-2/h4,6,8-10,14-15,19H,3,5,7,11-13,16-17H2,1-2H3/t19-/m1/s1
InChIKeyNSWVICMGUVEEBN-LJQANCHMSA-N
XLogP4.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.97
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25308472
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25308478
1-ethyl-3-(2-fluorophenyl)-1-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]urea
CID 45240318
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide (CID 42415674) is 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide is CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
The InChIKey is NSWVICMGUVEEBN-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30ClFN2O2/c1-3-28(24(29)22-10-9-20(25)15-23(22)26)17-19-7-5-12-27(16-19)13-11-18-6-4-8-21(14-18)30-2/h4,6,8-10,14-15,19H,3,5,7,11-13,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide?
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide has a molecular weight of 432.97 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 42415674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).