3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide

C16H20ClN3O3 — CID 51155753

IUPAC3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCn2ccnc2)cc1OC
InChIInChI=1S/C16H20ClN3O3/c1-3-23-15-13(17)9-12(10-14(15)22-2)16(21)19-5-4-7-20-8-6-18-11-20/h6,8-11H,3-5,7H2,1-2H3,(H,19,21)
InChIKeyCLOLCMSHZUDFCC-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.76
Rot. Bonds8

About 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide

3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide (PubChem CID 51155753) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
PubChem CID51155753
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCn2ccnc2)cc1OC
InChIInChI=1S/C16H20ClN3O3/c1-3-23-15-13(17)9-12(10-14(15)22-2)16(21)19-5-4-7-20-8-6-18-11-20/h6,8-11H,3-5,7H2,1-2H3,(H,19,21)
InChIKeyCLOLCMSHZUDFCC-UHFFFAOYSA-N
XLogP2.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 51250642
N-(3-imidazol-1-ylpropyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 51304793
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
4-amino-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 104782388
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide (CID 51155753) is 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NCCCn2ccnc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide?
The InChIKey is CLOLCMSHZUDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-3-23-15-13(17)9-12(10-14(15)22-2)16(21)19-5-4-7-20-8-6-18-11-20/h6,8-11H,3-5,7H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide?
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide has a molecular weight of 337.81 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide is sourced from PubChem (CID 51155753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).