N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide

C23H23ClN2O3 — CID 55557724

IUPACN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1OCc1ccncc1
InChIInChI=1S/C23H23ClN2O3/c1-3-28-22-14-19(7-8-21(22)29-16-17-9-11-25-12-10-17)23(27)26(2)15-18-5-4-6-20(24)13-18/h4-14H,3,15-16H2,1-2H3
InChIKeyYOOYMLYANFKXQU-UHFFFAOYSA-N
MW410.90 g/mol
LogP4.98
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide

N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 55557724) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID55557724
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1OCc1ccncc1
InChIInChI=1S/C23H23ClN2O3/c1-3-28-22-14-19(7-8-21(22)29-16-17-9-11-25-12-10-17)23(27)26(2)15-18-5-4-6-20(24)13-18/h4-14H,3,15-16H2,1-2H3
InChIKeyYOOYMLYANFKXQU-UHFFFAOYSA-N
XLogP4.98
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]-methylamino]propanoate
CID 55882942
3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 46597652
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-amino-N-[(3-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 61117258
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18267904
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 47919453
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide (CID 55557724) is N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)N(C)Cc2cccc(Cl)c2)ccc1OCc1ccncc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is YOOYMLYANFKXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-3-28-22-14-19(7-8-21(22)29-16-17-9-11-25-12-10-17)23(27)26(2)15-18-5-4-6-20(24)13-18/h4-14H,3,15-16H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide?
N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 410.90 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 55557724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).