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

C24H30Cl2N2O2 — CID 23010647

IUPACN,N'-bis(3-chloro-4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O2/c1-17-11-13-19(15-21(17)25)27-23(29)9-7-5-3-4-6-8-10-24(30)28-20-14-12-18(2)22(26)16-20/h11-16H,3-10H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPEUKPPCXYGXLDD-UHFFFAOYSA-N
MW449.42 g/mol
LogP7.31
Rot. Bonds11

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

N,N'-bis(3-chloro-4-methylphenyl)decanediamide (PubChem CID 23010647) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is N,N'-bis(3-chloro-4-methylphenyl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(3-chloro-4-methylphenyl)decanediamide
PubChem CID23010647
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC NameN,N'-bis(3-chloro-4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H30Cl2N2O2/c1-17-11-13-19(15-21(17)25)27-23(29)9-7-5-3-4-6-8-10-24(30)28-20-14-12-18(2)22(26)16-20/h11-16H,3-10H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyPEUKPPCXYGXLDD-UHFFFAOYSA-N
XLogP7.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
5-amino-N-(3-chloro-4-methylphenyl)-4-methylpentanamide
CID 82683230
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]butanamide
CID 47205683
7-[(3-chloro-4-methylphenyl)carbamoylamino]heptanoic acid
CID 43515072
N-(3-chloro-4-methylphenyl)-3-(2-methoxyethylamino)propanamide
CID 109015255
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-[4-(3-chloro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9395723
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-chloro-4-methylphenyl)decanediamide?
The IUPAC name of N,N'-bis(3-chloro-4-methylphenyl)decanediamide (CID 23010647) is N,N'-bis(3-chloro-4-methylphenyl)decanediamide.
What is the SMILES notation for N,N'-bis(3-chloro-4-methylphenyl)decanediamide?
The canonical SMILES for N,N'-bis(3-chloro-4-methylphenyl)decanediamide is Cc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl.
What is the InChIKey of N,N'-bis(3-chloro-4-methylphenyl)decanediamide?
The InChIKey is PEUKPPCXYGXLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2/c1-17-11-13-19(15-21(17)25)27-23(29)9-7-5-3-4-6-8-10-24(30)28-20-14-12-18(2)22(26)16-20/h11-16H,3-10H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(3-chloro-4-methylphenyl)decanediamide?
N,N'-bis(3-chloro-4-methylphenyl)decanediamide has a molecular weight of 449.42 g/mol, XLogP of 7.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-chloro-4-methylphenyl)decanediamide is sourced from PubChem (CID 23010647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).