N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide

C13H19BrN2O — CID 115999655

IUPACN-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-4-12(8-15)16-13(17)10-5-9(2)6-11(14)7-10/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyZSEZQQIIQVUFCS-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.61
Rot. Bonds5

About N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide

N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide (PubChem CID 115999655) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
PubChem CID115999655
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-3-4-12(8-15)16-13(17)10-5-9(2)6-11(14)7-10/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyZSEZQQIIQVUFCS-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80697654
3-bromo-5-methyl-N-pentan-3-ylbenzamide
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CID 65191484
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
N-(1-aminopentan-2-yl)-4-bromo-3-fluorobenzamide
CID 65190911
3-bromo-N-(1-chloro-4-methoxybutan-2-yl)-5-methylbenzamide
CID 114211920
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
3-bromo-5-methyl-N-(3-oxopentan-2-yl)benzamide
CID 104851606
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide (CID 115999655) is N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide is CCCC(CN)NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide?
The InChIKey is ZSEZQQIIQVUFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-4-12(8-15)16-13(17)10-5-9(2)6-11(14)7-10/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide?
N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide has a molecular weight of 299.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 115999655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).