3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide

C23H29ClN2O4 — CID 26972977

IUPAC3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C23H29ClN2O4/c1-4-11-30-22-20(24)14-18(15-21(22)28-3)23(27)25(2)16-17-5-7-19(8-6-17)26-9-12-29-13-10-26/h5-8,14-15H,4,9-13,16H2,1-3H3
InChIKeyADPJDBHEIPWSLT-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.25
Rot. Bonds8

About 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide (PubChem CID 26972977) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
PubChem CID26972977
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC
InChIInChI=1S/C23H29ClN2O4/c1-4-11-30-22-20(24)14-18(15-21(22)28-3)23(27)25(2)16-17-5-7-19(8-6-17)26-9-12-29-13-10-26/h5-8,14-15H,4,9-13,16H2,1-3H3
InChIKeyADPJDBHEIPWSLT-UHFFFAOYSA-N
XLogP4.25
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(4-fluorophenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 112792591
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethoxy-5-methoxy-N-methylbenzamide
CID 43010545
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619232
3-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 34763497
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 18168727
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 55344331
3-chloro-N-cyclopropyl-5-methoxy-4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 55412139
3-chloro-5-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-propoxybenzamide
CID 43006626
3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide
CID 9493504

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide (CID 26972977) is 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide?
The InChIKey is ADPJDBHEIPWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-4-11-30-22-20(24)14-18(15-21(22)28-3)23(27)25(2)16-17-5-7-19(8-6-17)26-9-12-29-13-10-26/h5-8,14-15H,4,9-13,16H2,1-3H3.
What are the key properties of 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide has a molecular weight of 432.95 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 26972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).