N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide

C24H29Cl2N3O6 — CID 101329028

IUPACN-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide
SMILESCCOc1ccc(N(Cl)C(=O)C(/N=N/c2ccc(OCC)c(Cl)c2OCC)C(C)=O)cc1OCC
InChIInChI=1S/C24H29Cl2N3O6/c1-6-32-18-12-10-16(14-20(18)34-8-3)29(26)24(31)22(15(5)30)28-27-17-11-13-19(33-7-2)21(25)23(17)35-9-4/h10-14,22H,6-9H2,1-5H3/b28-27+
InChIKeyWCGBWCVPZUFEAJ-BYYHNAKLSA-N
MW526.42 g/mol
LogP6.16
Rot. Bonds13

About N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide

N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide (PubChem CID 101329028) has the molecular formula C24H29Cl2N3O6 and a molecular weight of 526.42 g/mol. Its IUPAC name is N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide
PubChem CID101329028
Molecular FormulaC24H29Cl2N3O6
Molecular Weight526.42 g/mol
Exact Mass525.14
IUPAC NameN-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide
SMILESCCOc1ccc(N(Cl)C(=O)C(/N=N/c2ccc(OCC)c(Cl)c2OCC)C(C)=O)cc1OCC
InChIInChI=1S/C24H29Cl2N3O6/c1-6-32-18-12-10-16(14-20(18)34-8-3)29(26)24(31)22(15(5)30)28-27-17-11-13-19(33-7-2)21(25)23(17)35-9-4/h10-14,22H,6-9H2,1-5H3/b28-27+
InChIKeyWCGBWCVPZUFEAJ-BYYHNAKLSA-N
XLogP6.16
TPSA99.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-chloro-2-[(4-chloro-2,3-diethoxyphenyl)diazenyl]-N-(3,4-dimethoxyphenyl)-3-oxobutanamide
CID 101328972
N-chloro-2-[(3-chloro-2,5-dimethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide
CID 101328909
N-chloro-2-[(2-chloro-3,4-diethoxyphenyl)diazenyl]-N-(3,5-dimethoxyphenyl)-3-oxobutanamide
CID 101328974
N-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)diazenyl]-N-(2,6-diethoxyphenyl)-3-oxobutanamide
CID 101328894
N-chloro-2-[(4-chloro-2,3-dimethoxyphenyl)diazenyl]-N-(2,3-diethoxyphenyl)-3-oxobutanamide
CID 101328872
N-chloro-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-N-(3,5-diethoxyphenyl)-3-oxobutanamide
CID 101328915
N-chloro-2-[(4-chloro-2,5-diethoxyphenyl)diazenyl]-N-(2,3-diethoxyphenyl)-3-oxobutanamide
CID 101328993
N-chloro-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-N-(2,5-diethoxyphenyl)-3-oxobutanamide
CID 101328885
N-chloro-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-N-(2,6-diethoxyphenyl)-3-oxobutanamide
CID 101328895
N-chloro-2-[(4-chloro-2,5-diethoxyphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
CID 101328953
N-(3-chloro-2,4-diethoxyphenyl)-2-[(2-chloro-3,4-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329530
N-(6-chloro-2,3-diethoxyphenyl)-2-[(4-chloro-2,3-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329657

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide?
The IUPAC name of N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide (CID 101329028) is N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide?
The canonical SMILES for N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide is CCOc1ccc(N(Cl)C(=O)C(/N=N/c2ccc(OCC)c(Cl)c2OCC)C(C)=O)cc1OCC.
What is the InChIKey of N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide?
The InChIKey is WCGBWCVPZUFEAJ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H29Cl2N3O6/c1-6-32-18-12-10-16(14-20(18)34-8-3)29(26)24(31)22(15(5)30)28-27-17-11-13-19(33-7-2)21(25)23(17)35-9-4/h10-14,22H,6-9H2,1-5H3/b28-27+.
What are the key properties of N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide?
N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide has a molecular weight of 526.42 g/mol, XLogP of 6.16, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-[(3-chloro-2,4-diethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 101329028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).