6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide

C14H21ClN2O — CID 51041452

IUPAC6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-11(12-7-4-5-8-13(12)15)17-14(18)9-3-2-6-10-16/h4-5,7-8,11H,2-3,6,9-10,16H2,1H3,(H,17,18)
InChIKeyDABFWBPBUFQNJU-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.04
Rot. Bonds7

About 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide

6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide (PubChem CID 51041452) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
PubChem CID51041452
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
SMILESCC(NC(=O)CCCCCN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-11(12-7-4-5-8-13(12)15)17-14(18)9-3-2-6-10-16/h4-5,7-8,11H,2-3,6,9-10,16H2,1H3,(H,17,18)
InChIKeyDABFWBPBUFQNJU-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.04
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-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
CID 119686390
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide?
The IUPAC name of 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide (CID 51041452) is 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide?
The canonical SMILES for 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide is CC(NC(=O)CCCCCN)c1ccccc1Cl.
What is the InChIKey of 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide?
The InChIKey is DABFWBPBUFQNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(12-7-4-5-8-13(12)15)17-14(18)9-3-2-6-10-16/h4-5,7-8,11H,2-3,6,9-10,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide?
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide has a molecular weight of 268.79 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide is sourced from PubChem (CID 51041452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).