3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide

C18H21ClN2O4 — CID 51305983

IUPAC3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)nc2)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-4-7-25-17-14(19)8-13(9-15(17)23-2)18(22)21-11-12-5-6-16(24-3)20-10-12/h5-6,8-10H,4,7,11H2,1-3H3,(H,21,22)
InChIKeyGQNWFQLZSGCBAE-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.47
Rot. Bonds8

About 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide

3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide (PubChem CID 51305983) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
PubChem CID51305983
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)nc2)cc1OC
InChIInChI=1S/C18H21ClN2O4/c1-4-7-25-17-14(19)8-13(9-15(17)23-2)18(22)21-11-12-5-6-16(24-3)20-10-12/h5-6,8-10H,4,7,11H2,1-3H3,(H,21,22)
InChIKeyGQNWFQLZSGCBAE-UHFFFAOYSA-N
XLogP3.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
CID 112807261
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide (CID 51305983) is 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCc2ccc(OC)nc2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide?
The InChIKey is GQNWFQLZSGCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-4-7-25-17-14(19)8-13(9-15(17)23-2)18(22)21-11-12-5-6-16(24-3)20-10-12/h5-6,8-10H,4,7,11H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide?
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide has a molecular weight of 364.83 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 51305983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).