3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine

C17H26ClN3O — CID 177354348

IUPAC3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine
SMILESC=C.CN.CN(C)C(=O)c1ccc(C2=CCNCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O.C2H4.CH5N/c1-17(2)14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10;2*1-2/h3-5,9,16H,6-8H2,1-2H3;1-2H2;2H2,1H3
InChIKeyQWPNSPIWOJGPPC-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.80
Rot. Bonds2

About 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine

3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine (PubChem CID 177354348) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine
PubChem CID177354348
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine
SMILESC=C.CN.CN(C)C(=O)c1ccc(C2=CCNCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN2O.C2H4.CH5N/c1-17(2)14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10;2*1-2/h3-5,9,16H,6-8H2,1-2H3;1-2H2;2H2,1H3
InChIKeyQWPNSPIWOJGPPC-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493
tert-butyl 4-[2-chloro-4-(dimethylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177301130
4-amino-3-(4,4-dimethylcyclohexen-1-yl)-N,N-dimethylbenzamide
CID 68506015
2-chloro-4-(dimethylcarbamoyl)benzoic acid
CID 66878016
N-[3-chloro-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118518
4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-3-chloro-N,N-dimethylbenzamide;ethane;methane;propane
CID 177353752
3-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)aniline
CID 118626252
3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 154846002
3-chloro-4-iodo-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 104954986
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046
N,N-dimethyl-2-benzothiophene-5-carboxamide
CID 174850919
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine?
The IUPAC name of 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine (CID 177354348) is 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine.
What is the SMILES notation for 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine?
The canonical SMILES for 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine is C=C.CN.CN(C)C(=O)c1ccc(C2=CCNCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine?
The InChIKey is QWPNSPIWOJGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O.C2H4.CH5N/c1-17(2)14(18)11-3-4-12(13(15)9-11)10-5-7-16-8-6-10;2*1-2/h3-5,9,16H,6-8H2,1-2H3;1-2H2;2H2,1H3.
What are the key properties of 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine?
3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine has a molecular weight of 323.87 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;ethene;methanamine is sourced from PubChem (CID 177354348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).