7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride

C15H24Cl2N2O3 — CID 119683375

IUPAC7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCCCCN)c(OC)cc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-20-13-10-12(14(21-2)9-11(13)16)18-15(19)7-5-3-4-6-8-17;/h9-10H,3-8,17H2,1-2H3,(H,18,19);1H
InChIKeyIYFYZRYMVABINJ-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.63
Rot. Bonds9

About 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride

7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride (PubChem CID 119683375) has the molecular formula C15H24Cl2N2O3 and a molecular weight of 351.27 g/mol. Its IUPAC name is 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
PubChem CID119683375
Molecular FormulaC15H24Cl2N2O3
Molecular Weight351.27 g/mol
Exact Mass350.12
IUPAC Name7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCCCCCN)c(OC)cc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3.ClH/c1-20-13-10-12(14(21-2)9-11(13)16)18-15(19)7-5-3-4-6-8-17;/h9-10H,3-8,17H2,1-2H3,(H,18,19);1H
InChIKeyIYFYZRYMVABINJ-UHFFFAOYSA-N
XLogP3.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride (CID 119683375) is 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride is COc1cc(NC(=O)CCCCCCN)c(OC)cc1Cl.Cl.
What is the InChIKey of 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride?
The InChIKey is IYFYZRYMVABINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3.ClH/c1-20-13-10-12(14(21-2)9-11(13)16)18-15(19)7-5-3-4-6-8-17;/h9-10H,3-8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride?
7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride has a molecular weight of 351.27 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-chloro-2,5-dimethoxyphenyl)heptanamide;hydrochloride is sourced from PubChem (CID 119683375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).