4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

C18H19ClN2O4 — CID 109045180

IUPAC4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H19ClN2O4/c1-24-10-9-20-17(22)12-3-5-13(6-4-12)18(23)21-15-11-14(19)7-8-16(15)25-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyABHYIWMUHSUSIF-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.98
Rot. Bonds7

About 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide

4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (PubChem CID 109045180) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
PubChem CID109045180
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
SMILESCOCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H19ClN2O4/c1-24-10-9-20-17(22)12-3-5-13(6-4-12)18(23)21-15-11-14(19)7-8-16(15)25-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyABHYIWMUHSUSIF-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
6-N-(5-chloro-2-methoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095751
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]benzamide
CID 8763306
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
CID 2980127
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-iodobenzamide
CID 38886565
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-3-carboxamide
CID 110762736

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide (CID 109045180) is 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is COCCNC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
The InChIKey is ABHYIWMUHSUSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-10-9-20-17(22)12-3-5-13(6-4-12)18(23)21-15-11-14(19)7-8-16(15)25-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide?
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide has a molecular weight of 362.81 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).