3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide

C14H21BrN2O2 — CID 107872505

IUPAC3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H21BrN2O2/c1-8(2)4-11(7-18)17-14(19)12-5-10(15)6-13(16)9(12)3/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyPSNBRTUKWUHLGF-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.48
Rot. Bonds5

About 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide

3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide (PubChem CID 107872505) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
PubChem CID107872505
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(CO)CC(C)C
InChIInChI=1S/C14H21BrN2O2/c1-8(2)4-11(7-18)17-14(19)12-5-10(15)6-13(16)9(12)3/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19)
InChIKeyPSNBRTUKWUHLGF-UHFFFAOYSA-N
XLogP2.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
3-amino-5-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-methylbenzamide
CID 107873145
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113344752
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
CID 107873151
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-4-methoxybenzamide
CID 115412958
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide (CID 107872505) is 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC(CO)CC(C)C.
What is the InChIKey of 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide?
The InChIKey is PSNBRTUKWUHLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-8(2)4-11(7-18)17-14(19)12-5-10(15)6-13(16)9(12)3/h5-6,8,11,18H,4,7,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide?
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide has a molecular weight of 329.24 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 107872505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).