4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride

C22H26Cl2N4O2 — CID 71512754

IUPAC4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride
SMILESCCN(CC)c1cc(C(=O)Cl)ccc1/N=N/c1ccc(C(=O)Cl)cc1N(CC)CC
InChIInChI=1S/C22H26Cl2N4O2/c1-5-27(6-2)19-13-15(21(23)29)9-11-17(19)25-26-18-12-10-16(22(24)30)14-20(18)28(7-3)8-4/h9-14H,5-8H2,1-4H3/b26-25+
InChIKeyWFDKTZNBUGMKLZ-OCEACIFDSA-N
MW449.38 g/mol
LogP6.55
Rot. Bonds10

About 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride

4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride (PubChem CID 71512754) has the molecular formula C22H26Cl2N4O2 and a molecular weight of 449.38 g/mol. Its IUPAC name is 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride.

Molecular Properties

Compound Name4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride
PubChem CID71512754
Molecular FormulaC22H26Cl2N4O2
Molecular Weight449.38 g/mol
Exact Mass448.14
IUPAC Name4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride
SMILESCCN(CC)c1cc(C(=O)Cl)ccc1/N=N/c1ccc(C(=O)Cl)cc1N(CC)CC
InChIInChI=1S/C22H26Cl2N4O2/c1-5-27(6-2)19-13-15(21(23)29)9-11-17(19)25-26-18-12-10-16(22(24)30)14-20(18)28(7-3)8-4/h9-14H,5-8H2,1-4H3/b26-25+
InChIKeyWFDKTZNBUGMKLZ-OCEACIFDSA-N
XLogP6.55
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(diethylamino)-4-isocyanatobenzoate
CID 169352498
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
2-ethylbenzene-1,4-dicarbonyl chloride
CID 19915511
methyl 4-(diethylamino)-3-ethoxybenzoate
CID 168966387
methyl 4-[(3-chloro-2-hydroxypropyl)amino]-3-(diethylamino)benzoate
CID 168637047
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
4-[(4-carbonochloridoylphenyl)-diethylsilyl]benzoyl chloride
CID 101491677
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
biphenylene-2,7-dicarbonyl chloride
CID 59041868
methyl 4-[ethyl(propyl)amino]-3-(methylideneamino)benzoate
CID 145289554
3,4-dimethylbenzoyl chloride;methane
CID 155746404
3-[(dipropylamino)methyl]benzoyl chloride
CID 54263377

Frequently Asked Questions

What is the IUPAC name of 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride?
The IUPAC name of 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride (CID 71512754) is 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride.
What is the SMILES notation for 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride?
The canonical SMILES for 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride is CCN(CC)c1cc(C(=O)Cl)ccc1/N=N/c1ccc(C(=O)Cl)cc1N(CC)CC.
What is the InChIKey of 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride?
The InChIKey is WFDKTZNBUGMKLZ-OCEACIFDSA-N. The full InChI is InChI=1S/C22H26Cl2N4O2/c1-5-27(6-2)19-13-15(21(23)29)9-11-17(19)25-26-18-12-10-16(22(24)30)14-20(18)28(7-3)8-4/h9-14H,5-8H2,1-4H3/b26-25+.
What are the key properties of 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride?
4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride has a molecular weight of 449.38 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-carbonochloridoyl-2-(diethylamino)phenyl]diazenyl]-3-(diethylamino)benzoyl chloride is sourced from PubChem (CID 71512754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).