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

C23H29ClN2O4 — CID 60585731

IUPAC3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1OCC
InChIInChI=1S/C23H29ClN2O4/c1-3-10-30-22-20(24)14-18(15-21(22)29-4-2)23(27)25-19-7-5-6-17(13-19)16-26-8-11-28-12-9-26/h5-7,13-15H,3-4,8-12,16H2,1-2H3,(H,25,27)
InChIKeyAVAWVCVARHLNDZ-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.61
Rot. Bonds9

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

3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide (PubChem CID 60585731) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
PubChem CID60585731
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1OCC
InChIInChI=1S/C23H29ClN2O4/c1-3-10-30-22-20(24)14-18(15-21(22)29-4-2)23(27)25-19-7-5-6-17(13-19)16-26-8-11-28-12-9-26/h5-7,13-15H,3-4,8-12,16H2,1-2H3,(H,25,27)
InChIKeyAVAWVCVARHLNDZ-UHFFFAOYSA-N
XLogP4.61
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.61
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
N-[3-(morpholin-4-ylmethyl)phenyl]-4-pentoxybenzamide
CID 52751437
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
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-[3-(1-methylimidazol-2-yl)phenyl]-4-propoxybenzamide
CID 60557234
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288
4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 35327584
3-chloro-5-ethoxy-N-(2-oxochromen-6-yl)-4-propoxybenzamide
CID 52688828
3-chloro-5-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-4-propoxybenzamide
CID 55658078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide (CID 60585731) is 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2cccc(CN3CCOCC3)c2)cc1OCC.
What is the InChIKey of 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide?
The InChIKey is AVAWVCVARHLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-3-10-30-22-20(24)14-18(15-21(22)29-4-2)23(27)25-19-7-5-6-17(13-19)16-26-8-11-28-12-9-26/h5-7,13-15H,3-4,8-12,16H2,1-2H3,(H,25,27).
What are the key properties of 3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide?
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide has a molecular weight of 432.95 g/mol, XLogP of 4.61, 9 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-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 60585731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).