N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide

C15H23BrN2O — CID 115317454

IUPACN-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)14(17)7-8-18(4)15(19)12-9-11(3)5-6-13(12)16/h5-6,9-10,14H,7-8,17H2,1-4H3
InChIKeyCJGPRLUFCQXFKL-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.20
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide

N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide (PubChem CID 115317454) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
PubChem CID115317454
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C15H23BrN2O/c1-10(2)14(17)7-8-18(4)15(19)12-9-11(3)5-6-13(12)16/h5-6,9-10,14H,7-8,17H2,1-4H3
InChIKeyCJGPRLUFCQXFKL-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
CID 119659763
2-bromo-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 80979920
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-N,5-dimethylbenzamide
CID 81118021
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide (CID 115317454) is N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide is Cc1ccc(Br)c(C(=O)N(C)CCC(N)C(C)C)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide?
The InChIKey is CJGPRLUFCQXFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10(2)14(17)7-8-18(4)15(19)12-9-11(3)5-6-13(12)16/h5-6,9-10,14H,7-8,17H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide?
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide has a molecular weight of 327.27 g/mol, XLogP of 3.20, 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-bromo-N,5-dimethylbenzamide is sourced from PubChem (CID 115317454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).