3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide

C16H25BrN2O — CID 107872350

IUPAC3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H25BrN2O/c1-10(2)6-5-7-11(3)19-16(20)14-8-13(17)9-15(18)12(14)4/h8-11H,5-7,18H2,1-4H3,(H,19,20)
InChIKeyJQDPRPKZZMUCNM-UHFFFAOYSA-N
MW341.29 g/mol
LogP4.28
Rot. Bonds6

About 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide

3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide (PubChem CID 107872350) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
PubChem CID107872350
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)CCCC(C)C
InChIInChI=1S/C16H25BrN2O/c1-10(2)6-5-7-11(3)19-16(20)14-8-13(17)9-15(18)12(14)4/h8-11H,5-7,18H2,1-4H3,(H,19,20)
InChIKeyJQDPRPKZZMUCNM-UHFFFAOYSA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
CID 107872505
3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
3-amino-5-bromo-N-[1-(furan-2-yl)propan-2-yl]-2-methylbenzamide
CID 107872485
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
CID 60631422
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
3-methylbutyl 3-amino-5-bromo-2-methylbenzoate
CID 114011476
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide (CID 107872350) is 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide is Cc1c(N)cc(Br)cc1C(=O)NC(C)CCCC(C)C.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is JQDPRPKZZMUCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-10(2)6-5-7-11(3)19-16(20)14-8-13(17)9-15(18)12(14)4/h8-11H,5-7,18H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide?
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 341.29 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 107872350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).