1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C16H18ClFN2O — CID 163848945

IUPAC1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(/C(=C/N)c2cc(F)c(Cl)cc2C)CC1
InChIInChI=1S/C16H18ClFN2O/c1-10-7-15(17)16(18)8-13(10)14(9-19)12-3-5-20(6-4-12)11(2)21/h3,7-9H,4-6,19H2,1-2H3/b14-9-
InChIKeyOSQSADMXKGXFDF-ZROIWOOFSA-N
MW308.78 g/mol
LogP3.27
Rot. Bonds2

About 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 163848945) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID163848945
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(/C(=C/N)c2cc(F)c(Cl)cc2C)CC1
InChIInChI=1S/C16H18ClFN2O/c1-10-7-15(17)16(18)8-13(10)14(9-19)12-3-5-20(6-4-12)11(2)21/h3,7-9H,4-6,19H2,1-2H3/b14-9-
InChIKeyOSQSADMXKGXFDF-ZROIWOOFSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

1-acetyl-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 131086113
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
(4-chloro-5-fluoro-2-methylphenyl)boronic acid
CID 118995794
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
(4-fluoro-2-methylphenyl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115768398
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 52719292
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
1-[4-(3-amino-7-chloroisoquinolin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135343209
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139473206
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
4-[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 24563506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 163848945) is 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(/C(=C/N)c2cc(F)c(Cl)cc2C)CC1.
What is the InChIKey of 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OSQSADMXKGXFDF-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-10-7-15(17)16(18)8-13(10)14(9-19)12-3-5-20(6-4-12)11(2)21/h3,7-9H,4-6,19H2,1-2H3/b14-9-.
What are the key properties of 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 308.78 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(Z)-2-amino-1-(4-chloro-5-fluoro-2-methylphenyl)ethenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 163848945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).