7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride

C16H26Cl2N2O — CID 119717437

IUPAC7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C)C(=O)CCCCCCN.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-13(14-9-6-7-10-15(14)17)19(2)16(20)11-5-3-4-8-12-18;/h6-7,9-10,13H,3-5,8,11-12,18H2,1-2H3;1H
InChIKeyOCHXVZAGOMRDRX-UHFFFAOYSA-N
MW333.30 g/mol
LogP4.19
Rot. Bonds8

About 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride

7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride (PubChem CID 119717437) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
PubChem CID119717437
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
SMILESCC(c1ccccc1Cl)N(C)C(=O)CCCCCCN.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-13(14-9-6-7-10-15(14)17)19(2)16(20)11-5-3-4-8-12-18;/h6-7,9-10,13H,3-5,8,11-12,18H2,1-2H3;1H
InChIKeyOCHXVZAGOMRDRX-UHFFFAOYSA-N
XLogP4.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylhexanamide
CID 54870705
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
7-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]heptanamide;dihydrochloride
CID 119832233
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
4-[3-[1-(2-chlorophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119180616
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 64610155
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride (CID 119717437) is 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride is CC(c1ccccc1Cl)N(C)C(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride?
The InChIKey is OCHXVZAGOMRDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O.ClH/c1-13(14-9-6-7-10-15(14)17)19(2)16(20)11-5-3-4-8-12-18;/h6-7,9-10,13H,3-5,8,11-12,18H2,1-2H3;1H.
What are the key properties of 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride?
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride has a molecular weight of 333.30 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride is sourced from PubChem (CID 119717437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).