N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride

C15H24ClIN2O — CID 119658549

IUPACN-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)N(C)CCC(N)C(C)C)c1I.Cl
InChIInChI=1S/C15H23IN2O.ClH/c1-10(2)13(17)8-9-18(4)15(19)12-7-5-6-11(3)14(12)16;/h5-7,10,13H,8-9,17H2,1-4H3;1H
InChIKeyDZJQGBVDIGWFGK-UHFFFAOYSA-N
MW410.73 g/mol
LogP3.47
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride

N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride (PubChem CID 119658549) has the molecular formula C15H24ClIN2O and a molecular weight of 410.73 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
PubChem CID119658549
Molecular FormulaC15H24ClIN2O
Molecular Weight410.73 g/mol
Exact Mass410.06
IUPAC NameN-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)N(C)CCC(N)C(C)C)c1I.Cl
InChIInChI=1S/C15H23IN2O.ClH/c1-10(2)13(17)8-9-18(4)15(19)12-7-5-6-11(3)14(12)16;/h5-7,10,13H,8-9,17H2,1-4H3;1H
InChIKeyDZJQGBVDIGWFGK-UHFFFAOYSA-N
XLogP3.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
4-[(2-iodo-3-methylbenzoyl)-methylamino]butanoic acid
CID 103790174
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N,2-dimethyl-6-nitrobenzamide
CID 115317493
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride (CID 119658549) is N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride is Cc1cccc(C(=O)N(C)CCC(N)C(C)C)c1I.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride?
The InChIKey is DZJQGBVDIGWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O.ClH/c1-10(2)13(17)8-9-18(4)15(19)12-7-5-6-11(3)14(12)16;/h5-7,10,13H,8-9,17H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride?
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride has a molecular weight of 410.73 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119658549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).