4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide

C15H21ClN2O4 — CID 4006974

IUPAC4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
SMILESCCOCCCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C15H21ClN2O4/c1-4-22-7-5-6-17-15(20)11-8-12(16)13(18-10(2)19)9-14(11)21-3/h8-9H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCVOQDFRCHZXFTO-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.46
Rot. Bonds8

About 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide

4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide (PubChem CID 4006974) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
PubChem CID4006974
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC Name4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
SMILESCCOCCCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C15H21ClN2O4/c1-4-22-7-5-6-17-15(20)11-8-12(16)13(18-10(2)19)9-14(11)21-3/h8-9H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyCVOQDFRCHZXFTO-UHFFFAOYSA-N
XLogP2.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.46
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

4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17257152
4-acetamido-5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 4014438
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide?
The IUPAC name of 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide (CID 4006974) is 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide is CCOCCCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide?
The InChIKey is CVOQDFRCHZXFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4/c1-4-22-7-5-6-17-15(20)11-8-12(16)13(18-10(2)19)9-14(11)21-3/h8-9H,4-7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide?
4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide has a molecular weight of 328.80 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 4006974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).