3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide

C27H26Cl2N2O2 — CID 143481862

IUPAC3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide
SMILESC=CC1(C)CCC(C)(c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)C1
InChIInChI=1S/C27H26Cl2N2O2/c1-4-26(2)13-14-27(3,17-26)19-6-9-21(10-7-19)33-24-12-8-20(16-30-24)31-25(32)18-5-11-22(28)23(29)15-18/h4-12,15-16H,1,13-14,17H2,2-3H3,(H,31,32)
InChIKeySFVKJNSPGADTCZ-UHFFFAOYSA-N
MW481.42 g/mol
LogP8.07
Rot. Bonds6

About 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide

3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide (PubChem CID 143481862) has the molecular formula C27H26Cl2N2O2 and a molecular weight of 481.42 g/mol. Its IUPAC name is 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide
PubChem CID143481862
Molecular FormulaC27H26Cl2N2O2
Molecular Weight481.42 g/mol
Exact Mass480.14
IUPAC Name3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide
SMILESC=CC1(C)CCC(C)(c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)C1
InChIInChI=1S/C27H26Cl2N2O2/c1-4-26(2)13-14-27(3,17-26)19-6-9-21(10-7-19)33-24-12-8-20(16-30-24)31-25(32)18-5-11-22(28)23(29)15-18/h4-12,15-16H,1,13-14,17H2,2-3H3,(H,31,32)
InChIKeySFVKJNSPGADTCZ-UHFFFAOYSA-N
XLogP8.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-(2-amino-2-hydroxyiminoethyl)phenoxy]-3-pyridinyl]-3,4-dichlorobenzamide
CID 86616532
2-[[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]butanoic acid
CID 68527065
ethyl 5-[4-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]pentanoate
CID 68525138
3,4-dichloro-N-[6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenoxy]-3-pyridinyl]benzamide
CID 68527291
3,4-dichloro-N-[6-[4-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]phenoxy]-3-pyridinyl]benzamide
CID 87483944
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
3,4-dichloro-N-[[4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]benzamide
CID 3123654
6-amino-5-chloro-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 166216580
[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl] N-methyl-N-phenylcarbamate
CID 11316000
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide (CID 143481862) is 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide is C=CC1(C)CCC(C)(c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)C1.
What is the InChIKey of 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide?
The InChIKey is SFVKJNSPGADTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O2/c1-4-26(2)13-14-27(3,17-26)19-6-9-21(10-7-19)33-24-12-8-20(16-30-24)31-25(32)18-5-11-22(28)23(29)15-18/h4-12,15-16H,1,13-14,17H2,2-3H3,(H,31,32).
What are the key properties of 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide?
3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide has a molecular weight of 481.42 g/mol, XLogP of 8.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[6-[4-(3-ethenyl-1,3-dimethylcyclopentyl)phenoxy]-3-pyridinyl]benzamide is sourced from PubChem (CID 143481862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).