N-(5-acetamido-2-chlorophenyl)octanamide

C16H23ClN2O2 — CID 60538690

IUPACN-(5-acetamido-2-chlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-3-4-5-6-7-8-16(21)19-15-11-13(18-12(2)20)9-10-14(15)17/h9-11H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyALMQXXOXXQSKIT-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.60
Rot. Bonds8

About N-(5-acetamido-2-chlorophenyl)octanamide

N-(5-acetamido-2-chlorophenyl)octanamide (PubChem CID 60538690) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)octanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)octanamide
PubChem CID60538690
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(5-acetamido-2-chlorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-3-4-5-6-7-8-16(21)19-15-11-13(18-12(2)20)9-10-14(15)17/h9-11H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyALMQXXOXXQSKIT-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.60
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

N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
(Z)-N-[4-chloro-3-[(4,4-dimethyl-3-oxopentanoyl)amino]phenyl]octadec-9-enamide
CID 87951677
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-[4-chloro-3-[[2-(hexadecylamino)acetyl]amino]phenyl]butanamide
CID 54808683
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54809248
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)octanamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)octanamide (CID 60538690) is N-(5-acetamido-2-chlorophenyl)octanamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)octanamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)octanamide is CCCCCCCC(=O)Nc1cc(NC(C)=O)ccc1Cl.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)octanamide?
The InChIKey is ALMQXXOXXQSKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-4-5-6-7-8-16(21)19-15-11-13(18-12(2)20)9-10-14(15)17/h9-11H,3-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-acetamido-2-chlorophenyl)octanamide?
N-(5-acetamido-2-chlorophenyl)octanamide has a molecular weight of 310.83 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)octanamide is sourced from PubChem (CID 60538690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).