5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide

C27H28Cl2N2O — CID 23051645

IUPAC5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
SMILESCC(CCCc1cccnc1)NC(=O)CCC=C(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C27H28Cl2N2O/c1-20(7-2-8-21-9-6-16-30-19-21)31-27(32)15-5-14-26(22-10-3-12-24(28)17-22)23-11-4-13-25(29)18-23/h3-4,6,9-14,16-20H,2,5,7-8,15H2,1H3,(H,31,32)
InChIKeyLSFFYPIZASNQLD-UHFFFAOYSA-N
MW467.44 g/mol
LogP7.13
Rot. Bonds10

About 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide

5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide (PubChem CID 23051645) has the molecular formula C27H28Cl2N2O and a molecular weight of 467.44 g/mol. Its IUPAC name is 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide.

Molecular Properties

Compound Name5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
PubChem CID23051645
Molecular FormulaC27H28Cl2N2O
Molecular Weight467.44 g/mol
Exact Mass466.16
IUPAC Name5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
SMILESCC(CCCc1cccnc1)NC(=O)CCC=C(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C27H28Cl2N2O/c1-20(7-2-8-21-9-6-16-30-19-21)31-27(32)15-5-14-26(22-10-3-12-24(28)17-22)23-11-4-13-25(29)18-23/h3-4,6,9-14,16-20H,2,5,7-8,15H2,1H3,(H,31,32)
InChIKeyLSFFYPIZASNQLD-UHFFFAOYSA-N
XLogP7.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051537
5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide
CID 54132605
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
(2E,4E)-5-(3-methoxyphenyl)-4-methyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840644
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The IUPAC name of 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide (CID 23051645) is 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide.
What is the SMILES notation for 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The canonical SMILES for 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide is CC(CCCc1cccnc1)NC(=O)CCC=C(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
The InChIKey is LSFFYPIZASNQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N2O/c1-20(7-2-8-21-9-6-16-30-19-21)31-27(32)15-5-14-26(22-10-3-12-24(28)17-22)23-11-4-13-25(29)18-23/h3-4,6,9-14,16-20H,2,5,7-8,15H2,1H3,(H,31,32).
What are the key properties of 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide?
5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide has a molecular weight of 467.44 g/mol, XLogP of 7.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide is sourced from PubChem (CID 23051645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).