N-(3-amino-4-chlorophenyl)decanamide

C16H25ClN2O — CID 65447970

IUPACN-(3-amino-4-chlorophenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9,18H2,1H3,(H,19,20)
InChIKeyYHTBCKIYGPTGET-UHFFFAOYSA-N
MW296.84 g/mol
LogP5.00
Rot. Bonds9

About N-(3-amino-4-chlorophenyl)decanamide

N-(3-amino-4-chlorophenyl)decanamide (PubChem CID 65447970) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)decanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)decanamide
PubChem CID65447970
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(3-amino-4-chlorophenyl)decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9,18H2,1H3,(H,19,20)
InChIKeyYHTBCKIYGPTGET-UHFFFAOYSA-N
XLogP5.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.84
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107748971
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]heptanamide
CID 114753355

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)decanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)decanamide (CID 65447970) is N-(3-amino-4-chlorophenyl)decanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)decanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)decanamide is CCCCCCCCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)decanamide?
The InChIKey is YHTBCKIYGPTGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-3-4-5-6-7-8-9-16(20)19-13-10-11-14(17)15(18)12-13/h10-12H,2-9,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-chlorophenyl)decanamide?
N-(3-amino-4-chlorophenyl)decanamide has a molecular weight of 296.84 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)decanamide is sourced from PubChem (CID 65447970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).