N,N'-bis(4-chloro-3-nitrophenyl)decanediamide

C22H24Cl2N4O6 — CID 17080083

IUPACN,N'-bis(4-chloro-3-nitrophenyl)decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C22H24Cl2N4O6/c23-17-11-9-15(13-19(17)27(31)32)25-21(29)7-5-3-1-2-4-6-8-22(30)26-16-10-12-18(24)20(14-16)28(33)34/h9-14H,1-8H2,(H,25,29)(H,26,30)
InChIKeyIYNKOYGWETUCFH-UHFFFAOYSA-N
MW511.36 g/mol
LogP6.51
Rot. Bonds13

About N,N'-bis(4-chloro-3-nitrophenyl)decanediamide

N,N'-bis(4-chloro-3-nitrophenyl)decanediamide (PubChem CID 17080083) has the molecular formula C22H24Cl2N4O6 and a molecular weight of 511.36 g/mol. Its IUPAC name is N,N'-bis(4-chloro-3-nitrophenyl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(4-chloro-3-nitrophenyl)decanediamide
PubChem CID17080083
Molecular FormulaC22H24Cl2N4O6
Molecular Weight511.36 g/mol
Exact Mass510.11
IUPAC NameN,N'-bis(4-chloro-3-nitrophenyl)decanediamide
SMILESO=C(CCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C22H24Cl2N4O6/c23-17-11-9-15(13-19(17)27(31)32)25-21(29)7-5-3-1-2-4-6-8-22(30)26-16-10-12-18(24)20(14-16)28(33)34/h9-14H,1-8H2,(H,25,29)(H,26,30)
InChIKeyIYNKOYGWETUCFH-UHFFFAOYSA-N
XLogP6.51
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.36
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
CID 19191422
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-amino-3-nitrophenyl)hexadecanamide
CID 71443748
6-(4-bromo-3-nitroanilino)-6-oxohexanoic acid
CID 79767512
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chloro-3-nitrophenyl)decanediamide?
The IUPAC name of N,N'-bis(4-chloro-3-nitrophenyl)decanediamide (CID 17080083) is N,N'-bis(4-chloro-3-nitrophenyl)decanediamide.
What is the SMILES notation for N,N'-bis(4-chloro-3-nitrophenyl)decanediamide?
The canonical SMILES for N,N'-bis(4-chloro-3-nitrophenyl)decanediamide is O=C(CCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N,N'-bis(4-chloro-3-nitrophenyl)decanediamide?
The InChIKey is IYNKOYGWETUCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O6/c23-17-11-9-15(13-19(17)27(31)32)25-21(29)7-5-3-1-2-4-6-8-22(30)26-16-10-12-18(24)20(14-16)28(33)34/h9-14H,1-8H2,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis(4-chloro-3-nitrophenyl)decanediamide?
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide has a molecular weight of 511.36 g/mol, XLogP of 6.51, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chloro-3-nitrophenyl)decanediamide is sourced from PubChem (CID 17080083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).