N-[2-(1-chloroethyl)phenyl]hexanamide

C14H20ClNO — CID 114304795

IUPACN-[2-(1-chloroethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1C(C)Cl
InChIInChI=1S/C14H20ClNO/c1-3-4-5-10-14(17)16-13-9-7-6-8-12(13)11(2)15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyMAPSOWAUDHTIDM-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(1-chloroethyl)phenyl]hexanamide

N-[2-(1-chloroethyl)phenyl]hexanamide (PubChem CID 114304795) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]hexanamide
PubChem CID114304795
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(1-chloroethyl)phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1C(C)Cl
InChIInChI=1S/C14H20ClNO/c1-3-4-5-10-14(17)16-13-9-7-6-8-12(13)11(2)15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyMAPSOWAUDHTIDM-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.51
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-chlorophenyl)hexanamide
CID 4644560
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
N-(2-chlorophenyl)octanamide
CID 2292983
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-(2-fluorophenyl)hexanamide
CID 3481165
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)phenyl]octadecanamide
CID 70182552
N-[(2-propan-2-ylphenyl)carbamothioyl]heptanamide
CID 54789169
N-[3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]phenyl]hexanamide
CID 54841082
N-naphthalen-1-yldodecanamide
CID 588517

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]hexanamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]hexanamide (CID 114304795) is N-[2-(1-chloroethyl)phenyl]hexanamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]hexanamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1C(C)Cl.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]hexanamide?
The InChIKey is MAPSOWAUDHTIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-4-5-10-14(17)16-13-9-7-6-8-12(13)11(2)15/h6-9,11H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(1-chloroethyl)phenyl]hexanamide?
N-[2-(1-chloroethyl)phenyl]hexanamide has a molecular weight of 253.77 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]hexanamide is sourced from PubChem (CID 114304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).