5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide

C27H26Cl4N2O — CID 54132605

IUPAC5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)CCC=C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H26Cl4N2O/c1-18(5-2-6-19-7-4-14-32-17-19)33-27(34)9-3-8-22(20-10-12-23(28)25(30)15-20)21-11-13-24(29)26(31)16-21/h4,7-8,10-18H,2-3,5-6,9H2,1H3,(H,33,34)/t18-/m1/s1
InChIKeyNVKDMSZSVRESLC-GOSISDBHSA-N
MW536.33 g/mol
LogP8.43
Rot. Bonds10

About 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide

5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide (PubChem CID 54132605) has the molecular formula C27H26Cl4N2O and a molecular weight of 536.33 g/mol. Its IUPAC name is 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide.

Molecular Properties

Compound Name5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide
PubChem CID54132605
Molecular FormulaC27H26Cl4N2O
Molecular Weight536.33 g/mol
Exact Mass534.08
IUPAC Name5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide
SMILESC[C@H](CCCc1cccnc1)NC(=O)CCC=C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H26Cl4N2O/c1-18(5-2-6-19-7-4-14-32-17-19)33-27(34)9-3-8-22(20-10-12-23(28)25(30)15-20)21-11-13-24(29)26(31)16-21/h4,7-8,10-18H,2-3,5-6,9H2,1H3,(H,33,34)/t18-/m1/s1
InChIKeyNVKDMSZSVRESLC-GOSISDBHSA-N
XLogP8.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.33
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-bis(3-chlorophenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051645
5,5-bis(3-methylphenyl)-N-(5-pyridin-3-ylpentan-2-yl)pent-4-enamide
CID 23051537
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
(2E)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
CID 22840630
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
N-[(2R)-5-pyridin-3-ylpentan-2-yl]-5,5-bis(3,4,5-trimethoxyphenyl)penta-2,4-dienamide
CID 54410484
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
CID 18396525
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide?
The IUPAC name of 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide (CID 54132605) is 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide.
What is the SMILES notation for 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide?
The canonical SMILES for 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide is C[C@H](CCCc1cccnc1)NC(=O)CCC=C(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide?
The InChIKey is NVKDMSZSVRESLC-GOSISDBHSA-N. The full InChI is InChI=1S/C27H26Cl4N2O/c1-18(5-2-6-19-7-4-14-32-17-19)33-27(34)9-3-8-22(20-10-12-23(28)25(30)15-20)21-11-13-24(29)26(31)16-21/h4,7-8,10-18H,2-3,5-6,9H2,1H3,(H,33,34)/t18-/m1/s1.
What are the key properties of 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide?
5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide has a molecular weight of 536.33 g/mol, XLogP of 8.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(3,4-dichlorophenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]pent-4-enamide is sourced from PubChem (CID 54132605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).