N-(2-chloro-2-phenylethyl)decanamide

C18H28ClNO — CID 114295700

IUPACN-(2-chloro-2-phenylethyl)decanamide
SMILESCCCCCCCCCC(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-11-14-18(21)20-15-17(19)16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,20,21)
InChIKeySVYYWOGAPDAUPS-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.22
Rot. Bonds11

About N-(2-chloro-2-phenylethyl)decanamide

N-(2-chloro-2-phenylethyl)decanamide (PubChem CID 114295700) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)decanamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)decanamide
PubChem CID114295700
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-(2-chloro-2-phenylethyl)decanamide
SMILESCCCCCCCCCC(=O)NCC(Cl)c1ccccc1
InChIInChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-11-14-18(21)20-15-17(19)16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,20,21)
InChIKeySVYYWOGAPDAUPS-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2-phenylethyl)heptanamide
CID 114753979
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
3-(hexanoylamino)-2-phenylpropanoic acid
CID 62883847
N-(2-hydroxy-2-phenylethyl)octadeca-9,12-dienamide
CID 74954423
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-(2-hydroxy-3-phenylpropyl)hexanamide
CID 111102787
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
1-chloro-1-phenyldecan-2-one
CID 81235866
1-chloro-1-phenylnonan-2-one
CID 81236884

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)decanamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)decanamide (CID 114295700) is N-(2-chloro-2-phenylethyl)decanamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)decanamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)decanamide is CCCCCCCCCC(=O)NCC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)decanamide?
The InChIKey is SVYYWOGAPDAUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-2-3-4-5-6-7-11-14-18(21)20-15-17(19)16-12-9-8-10-13-16/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,20,21).
What are the key properties of N-(2-chloro-2-phenylethyl)decanamide?
N-(2-chloro-2-phenylethyl)decanamide has a molecular weight of 309.88 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)decanamide is sourced from PubChem (CID 114295700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).