N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide

C17H16Cl2N2O4 — CID 2386166

IUPACN,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-24-14-5-3-10(18)7-12(14)20-16(22)9-17(23)21-13-8-11(19)4-6-15(13)25-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRLYMXOOGAFQPJB-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.98
Rot. Bonds6

About N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide

N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide (PubChem CID 2386166) has the molecular formula C17H16Cl2N2O4 and a molecular weight of 383.23 g/mol. Its IUPAC name is N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
PubChem CID2386166
Molecular FormulaC17H16Cl2N2O4
Molecular Weight383.23 g/mol
Exact Mass382.05
IUPAC NameN,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C17H16Cl2N2O4/c1-24-14-5-3-10(18)7-12(14)20-16(22)9-17(23)21-13-8-11(19)4-6-15(13)25-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRLYMXOOGAFQPJB-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
CID 98791
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672
4-[(5-Chloro-2-methoxyphenyl)amino]-4-oxo-2-butenoic acid
CID 1622404
N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide
CID 685575
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
CID 22035
(2E)-4-[(5-chloro-2-methoxyphenyl)amino]-4-oxobut-2-enoic acid
CID 711045
N-(5-chloro-2-methoxyphenyl)-N'-(1-propyl-4-piperidinyl)urea
CID 971845
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2429777
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide?
The IUPAC name of N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide (CID 2386166) is N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide?
The canonical SMILES for N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide is COc1ccc(Cl)cc1NC(=O)CC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide?
The InChIKey is RLYMXOOGAFQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O4/c1-24-14-5-3-10(18)7-12(14)20-16(22)9-17(23)21-13-8-11(19)4-6-15(13)25-2/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide?
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide has a molecular weight of 383.23 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide is sourced from PubChem (CID 2386166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).