N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide

C12H16BrNO2 — CID 47317654

IUPACN-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(Br)cc1NC(=O)CC(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)6-12(15)14-10-7-9(13)4-5-11(10)16-3/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyYJBCCNBCQXCSKF-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.44
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide

N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide (PubChem CID 47317654) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
PubChem CID47317654
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(Br)cc1NC(=O)CC(C)C
InChIInChI=1S/C12H16BrNO2/c1-8(2)6-12(15)14-10-7-9(13)4-5-11(10)16-3/h4-5,7-8H,6H2,1-3H3,(H,14,15)
InChIKeyYJBCCNBCQXCSKF-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
2-amino-4-(5-bromo-2-methoxyanilino)-4-oxobutanoic acid
CID 115180932
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
N-(5-bromo-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 55905124
(2S)-2-amino-N-(5-bromo-2-methoxyphenyl)propanamide;hydrochloride
CID 119292528
N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide (CID 47317654) is N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide is COc1ccc(Br)cc1NC(=O)CC(C)C.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide?
The InChIKey is YJBCCNBCQXCSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(2)6-12(15)14-10-7-9(13)4-5-11(10)16-3/h4-5,7-8H,6H2,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide?
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide has a molecular weight of 286.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 47317654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).