3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide

C20H24Cl2N2O2 — CID 18848579

IUPAC3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-6-11-26-19-17(21)12-16(13-18(19)22)20(25)24-14-15-7-9-23-10-8-15/h7-10,12-13H,2-6,11,14H2,1H3,(H,24,25)
InChIKeyQEIJWFLUMOATPU-UHFFFAOYSA-N
MW395.33 g/mol
LogP5.67
Rot. Bonds10

About 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide

3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 18848579) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID18848579
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC Name3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCCCCCCOc1c(Cl)cc(C(=O)NCc2ccncc2)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-6-11-26-19-17(21)12-16(13-18(19)22)20(25)24-14-15-7-9-23-10-8-15/h7-10,12-13H,2-6,11,14H2,1H3,(H,24,25)
InChIKeyQEIJWFLUMOATPU-UHFFFAOYSA-N
XLogP5.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848436
3,5-dichloro-N-(4-chlorophenyl)-4-heptoxybenzamide
CID 18848534
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-(4-acetamidophenyl)-3,5-dichloro-4-pentoxybenzamide
CID 18848410
2-[(3,5-dichloro-4-hexoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18848924
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
2-[(3,5-dichloro-4-pentoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18848843
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
3,5-dichloro-4-heptoxy-N-(3-nitrophenyl)benzamide
CID 18848538

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide (CID 18848579) is 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide is CCCCCCCOc1c(Cl)cc(C(=O)NCc2ccncc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QEIJWFLUMOATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-2-3-4-5-6-11-26-19-17(21)12-16(13-18(19)22)20(25)24-14-15-7-9-23-10-8-15/h7-10,12-13H,2-6,11,14H2,1H3,(H,24,25).
What are the key properties of 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide?
3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 395.33 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-heptoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 18848579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).