N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide

C20H23Cl2N3O2 — CID 54813231

IUPACN-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-2-3-4-8-19(26)24-16-6-5-7-17(12-16)25-20(27)13-23-18-10-14(21)9-15(22)11-18/h5-7,9-12,23H,2-4,8,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyAAQWHSDAJZBTGQ-UHFFFAOYSA-N
MW408.33 g/mol
LogP5.56
Rot. Bonds9

About N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide

N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide (PubChem CID 54813231) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
PubChem CID54813231
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C20H23Cl2N3O2/c1-2-3-4-8-19(26)24-16-6-5-7-17(12-16)25-20(27)13-23-18-10-14(21)9-15(22)11-18/h5-7,9-12,23H,2-4,8,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyAAQWHSDAJZBTGQ-UHFFFAOYSA-N
XLogP5.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
N-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54819419
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]hexanamide
CID 54815058
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide (CID 54813231) is N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide?
The InChIKey is AAQWHSDAJZBTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-2-3-4-8-19(26)24-16-6-5-7-17(12-16)25-20(27)13-23-18-10-14(21)9-15(22)11-18/h5-7,9-12,23H,2-4,8,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide?
N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide has a molecular weight of 408.33 g/mol, XLogP of 5.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,5-dichloroanilino)acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54813231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).