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

C15H24Cl2N2O — CID 119682648

IUPAC7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
SMILESCN(Cc1ccccc1Cl)C(=O)CCCCCCN.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-18(12-13-8-5-6-9-14(13)16)15(19)10-4-2-3-7-11-17;/h5-6,8-9H,2-4,7,10-12,17H2,1H3;1H
InChIKeyXYLUAVHUWRGFEK-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.63
Rot. Bonds8

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

7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride (PubChem CID 119682648) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
PubChem CID119682648
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
SMILESCN(Cc1ccccc1Cl)C(=O)CCCCCCN.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-18(12-13-8-5-6-9-14(13)16)15(19)10-4-2-3-7-11-17;/h5-6,8-9H,2-4,7,10-12,17H2,1H3;1H
InChIKeyXYLUAVHUWRGFEK-UHFFFAOYSA-N
XLogP3.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.63
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-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
7-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylheptanamide;hydrochloride
CID 119717437
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 30827481
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
7-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]heptanamide
CID 61426506

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride (CID 119682648) is 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride is CN(Cc1ccccc1Cl)C(=O)CCCCCCN.Cl.
What is the InChIKey of 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride?
The InChIKey is XYLUAVHUWRGFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-18(12-13-8-5-6-9-14(13)16)15(19)10-4-2-3-7-11-17;/h5-6,8-9H,2-4,7,10-12,17H2,1H3;1H.
What are the key properties of 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride?
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride is sourced from PubChem (CID 119682648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).