3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide

C13H17Cl2NO3 — CID 107318553

IUPAC3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCCCCCO)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-19-12-10(14)7-9(8-11(12)15)13(18)16-5-3-2-4-6-17/h7-8,17H,2-6H2,1H3,(H,16,18)
InChIKeyUAUSYZCVCMGNTR-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.89
Rot. Bonds7

About 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide

3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide (PubChem CID 107318553) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
PubChem CID107318553
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)NCCCCCO)cc1Cl
InChIInChI=1S/C13H17Cl2NO3/c1-19-12-10(14)7-9(8-11(12)15)13(18)16-5-3-2-4-6-17/h7-8,17H,2-6H2,1H3,(H,16,18)
InChIKeyUAUSYZCVCMGNTR-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
3,5-dichloro-4-methoxy-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 134049590
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
3,5-dichloro-4-methoxy-N-(2-methylpropyl)benzamide
CID 51217200
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
3,5-dichloro-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699714

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide (CID 107318553) is 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide is COc1c(Cl)cc(C(=O)NCCCCCO)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide?
The InChIKey is UAUSYZCVCMGNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-19-12-10(14)7-9(8-11(12)15)13(18)16-5-3-2-4-6-17/h7-8,17H,2-6H2,1H3,(H,16,18).
What are the key properties of 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide?
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide has a molecular weight of 306.19 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide is sourced from PubChem (CID 107318553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).