3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide

C14H20ClNO4 — CID 107318683

IUPAC3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCCO)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO4/c1-19-12-9-10(8-11(15)13(12)20-2)14(18)16-6-4-3-5-7-17/h8-9,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyMNOLFYWGODZVJL-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.25
Rot. Bonds8

About 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide

3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide (PubChem CID 107318683) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
PubChem CID107318683
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCCO)cc(Cl)c1OC
InChIInChI=1S/C14H20ClNO4/c1-19-12-9-10(8-11(15)13(12)20-2)14(18)16-6-4-3-5-7-17/h8-9,17H,3-7H2,1-2H3,(H,16,18)
InChIKeyMNOLFYWGODZVJL-UHFFFAOYSA-N
XLogP2.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
5-[(3-chloro-4,5-dimethoxybenzoyl)amino]pentanoic acid
CID 62032676
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
3-chloro-4,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 26253252
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
3-chloro-4,5-dimethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699665
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide (CID 107318683) is 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide is COc1cc(C(=O)NCCCCCO)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide?
The InChIKey is MNOLFYWGODZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-19-12-9-10(8-11(15)13(12)20-2)14(18)16-6-4-3-5-7-17/h8-9,17H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide?
3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide has a molecular weight of 301.77 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 107318683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).