3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide

C20H19Cl2FN2O — CID 46891077

IUPAC3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide
SMILESCC1CNCC=C1CNC(=O)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F
InChIInChI=1S/C20H19Cl2FN2O/c1-12-10-24-8-7-14(12)11-25-20(26)18-16(5-6-17(22)19(18)23)13-3-2-4-15(21)9-13/h2-7,9,12,24H,8,10-11H2,1H3,(H,25,26)
InChIKeyTYUMDAPLVZDIBN-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.70
Rot. Bonds4

About 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide

3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide (PubChem CID 46891077) has the molecular formula C20H19Cl2FN2O and a molecular weight of 393.29 g/mol. Its IUPAC name is 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide
PubChem CID46891077
Molecular FormulaC20H19Cl2FN2O
Molecular Weight393.29 g/mol
Exact Mass392.09
IUPAC Name3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide
SMILESCC1CNCC=C1CNC(=O)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F
InChIInChI=1S/C20H19Cl2FN2O/c1-12-10-24-8-7-14(12)11-25-20(26)18-16(5-6-17(22)19(18)23)13-3-2-4-15(21)9-13/h2-7,9,12,24H,8,10-11H2,1H3,(H,25,26)
InChIKeyTYUMDAPLVZDIBN-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-N-phenethylbenzamide
CID 306479
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
Benzamide derivative 8
CID 118607347
3,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 2807080
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345
4'-Chloro-2-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130264
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
2-Chloro-N-(2-phenyl-propyl)-benzamide
CID 3116854
3-chloro-N-(3-methylbutyl)benzamide
CID 669768
3-chloro-N-(2-phenylethyl)benzamide
CID 835434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide?
The IUPAC name of 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide (CID 46891077) is 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide is CC1CNCC=C1CNC(=O)c1c(-c2cccc(Cl)c2)ccc(Cl)c1F.
What is the InChIKey of 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide?
The InChIKey is TYUMDAPLVZDIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O/c1-12-10-24-8-7-14(12)11-25-20(26)18-16(5-6-17(22)19(18)23)13-3-2-4-15(21)9-13/h2-7,9,12,24H,8,10-11H2,1H3,(H,25,26).
What are the key properties of 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide?
3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide has a molecular weight of 393.29 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-chlorophenyl)-2-fluoro-N-[(3-methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 46891077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).