3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide

C21H25ClN2O4 — CID 38024353

IUPAC3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-4-10-28-20-17(22)11-14(12-18(20)27-6-3)21(26)24-16-9-7-8-15(13-16)23-19(25)5-2/h7-9,11-13H,4-6,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUMMNOCQKIMQFNL-UHFFFAOYSA-N
MW404.89 g/mol
LogP5.13
Rot. Bonds9

About 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide

3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide (PubChem CID 38024353) has the molecular formula C21H25ClN2O4 and a molecular weight of 404.89 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
PubChem CID38024353
Molecular FormulaC21H25ClN2O4
Molecular Weight404.89 g/mol
Exact Mass404.15
IUPAC Name3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1OCC
InChIInChI=1S/C21H25ClN2O4/c1-4-10-28-20-17(22)11-14(12-18(20)27-6-3)21(26)24-16-9-7-8-15(13-16)23-19(25)5-2/h7-9,11-13H,4-6,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUMMNOCQKIMQFNL-UHFFFAOYSA-N
XLogP5.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.89
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethoxyphenyl)-5-ethoxy-4-propoxybenzamide
CID 26694948
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3-chloro-5-ethoxy-N-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
CID 60557234
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate
CID 7363359
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
S-[4-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56529828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide (CID 38024353) is 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)CC)c2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide?
The InChIKey is UMMNOCQKIMQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4/c1-4-10-28-20-17(22)11-14(12-18(20)27-6-3)21(26)24-16-9-7-8-15(13-16)23-19(25)5-2/h7-9,11-13H,4-6,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide has a molecular weight of 404.89 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 38024353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).