3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide

C22H24ClN3O3 — CID 60557234

IUPAC3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1OCC
InChIInChI=1S/C22H24ClN3O3/c1-4-11-29-20-18(23)13-16(14-19(20)28-5-2)22(27)25-17-8-6-7-15(12-17)21-24-9-10-26(21)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyWSZNGQHBEPOQBX-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.18
Rot. Bonds8

About 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide (PubChem CID 60557234) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
PubChem CID60557234
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1OCC
InChIInChI=1S/C22H24ClN3O3/c1-4-11-29-20-18(23)13-16(14-19(20)28-5-2)22(27)25-17-8-6-7-15(12-17)21-24-9-10-26(21)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyWSZNGQHBEPOQBX-UHFFFAOYSA-N
XLogP5.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
3-chloro-5-ethoxy-N-(3-methoxyphenyl)-4-propoxybenzamide
CID 3610784
3-chloro-5-ethoxy-N-(4-ethoxy-3-methoxyphenyl)-4-propoxybenzamide
CID 9102560
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3-chloro-N-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
3-chloro-5-methoxy-4-propoxy-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 41489212
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3-chloro-N-(5-chloro-2-pyridinyl)-5-ethoxy-4-propoxybenzamide
CID 34135714

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide (CID 60557234) is 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide?
The InChIKey is WSZNGQHBEPOQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-4-11-29-20-18(23)13-16(14-19(20)28-5-2)22(27)25-17-8-6-7-15(12-17)21-24-9-10-26(21)3/h6-10,12-14H,4-5,11H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide has a molecular weight of 413.91 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 60557234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).