4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C24H29ClN2O5 — CID 35327584

IUPAC4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C24H29ClN2O5/c1-3-5-12-32-22-19(25)15-17(16-21(22)31-4-2)23(28)26-20-9-7-6-8-18(20)24(29)27-10-13-30-14-11-27/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,26,28)
InChIKeyBHDGTLQPPLZTJU-UHFFFAOYSA-N
MW460.96 g/mol
LogP4.64
Rot. Bonds9

About 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 35327584) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID35327584
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C24H29ClN2O5/c1-3-5-12-32-22-19(25)15-17(16-21(22)31-4-2)23(28)26-20-9-7-6-8-18(20)24(29)27-10-13-30-14-11-27/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,26,28)
InChIKeyBHDGTLQPPLZTJU-UHFFFAOYSA-N
XLogP4.64
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 54.64
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

3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
(4-butoxy-3-chloro-5-ethoxyphenyl)-piperidin-1-ylmethanone
CID 112759341
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3-butoxy-N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 4957109
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
4-butoxy-3-chloro-N-(4-chlorophenyl)-5-ethoxybenzamide
CID 7900588
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
3-bromo-4-(3-methylbutoxy)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 17339427

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 35327584) is 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is BHDGTLQPPLZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-3-5-12-32-22-19(25)15-17(16-21(22)31-4-2)23(28)26-20-9-7-6-8-18(20)24(29)27-10-13-30-14-11-27/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,26,28).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 460.96 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 35327584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).