2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

C19H18ClFN2O — CID 46891076

IUPAC2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
InChIKeyMNXZAZYAHAQZFK-UHFFFAOYSA-N
MW344.82 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide

2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (PubChem CID 46891076) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
PubChem CID46891076
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
SMILESO=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
InChIKeyMNXZAZYAHAQZFK-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 53.80
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

2-Chloro-N-phenethyl-benzamide
CID 692233
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
Benzamide derivative 8
CID 118607347
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide (CID 46891076) is 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
The InChIKey is MNXZAZYAHAQZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24).
What are the key properties of 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide?
2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide has a molecular weight of 344.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 46891076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).