4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide

C15H22ClNO4 — CID 78783545

IUPAC4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCCO)cc1OCC
InChIInChI=1S/C15H22ClNO4/c1-3-5-8-21-14-12(16)9-11(10-13(14)20-4-2)15(19)17-6-7-18/h9-10,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyQIQPJTRSMDYAFK-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.64
Rot. Bonds9

About 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide

4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide (PubChem CID 78783545) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
PubChem CID78783545
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCCO)cc1OCC
InChIInChI=1S/C15H22ClNO4/c1-3-5-8-21-14-12(16)9-11(10-13(14)20-4-2)15(19)17-6-7-18/h9-10,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyQIQPJTRSMDYAFK-UHFFFAOYSA-N
XLogP2.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.64
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

methyl 6-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]hexanoate
CID 55349852
4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535369
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
4-butoxy-3-chloro-5-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55866715
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
methyl 1-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]cyclopentane-1-carboxylate
CID 55561058
3-chloro-5-ethoxy-N-[(2R)-2-(ethylamino)propyl]-4-propoxybenzamide
CID 120652489
N-(3-amino-2-methylpropyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 119996833
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-butoxy-3-chloro-5-ethoxybenzoate
CID 8603349
4-butoxy-3-chloro-5-ethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031623

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide (CID 78783545) is 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide is CCCCOc1c(Cl)cc(C(=O)NCCO)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is QIQPJTRSMDYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4/c1-3-5-8-21-14-12(16)9-11(10-13(14)20-4-2)15(19)17-6-7-18/h9-10,18H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide?
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 315.80 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 78783545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).