3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide

C12H16ClNO3 — CID 98016868

IUPAC3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCO)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-2-17-11-5-4-9(8-10(11)13)12(16)14-6-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyCSFZQOWLJPVHSV-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.85
Rot. Bonds6

About 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide

3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide (PubChem CID 98016868) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
PubChem CID98016868
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCO)cc1Cl
InChIInChI=1S/C12H16ClNO3/c1-2-17-11-5-4-9(8-10(11)13)12(16)14-6-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyCSFZQOWLJPVHSV-UHFFFAOYSA-N
XLogP1.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.85
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

3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
3-chloro-4-[(3-chlorophenyl)methoxy]-N-(4-hydroxybutyl)benzamide
CID 25195088
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
3-chloro-4-ethoxy-N-[(2R)-2-ethylhexyl]benzamide
CID 100546421
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide (CID 98016868) is 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide is CCOc1ccc(C(=O)NCCCO)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide?
The InChIKey is CSFZQOWLJPVHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-2-17-11-5-4-9(8-10(11)13)12(16)14-6-3-7-15/h4-5,8,15H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide?
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide has a molecular weight of 257.72 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 98016868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).