N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide

C12H15BrFNO2 — CID 103753613

IUPACN-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-8(7-17-2)5-12(16)15-11-6-9(14)3-4-10(11)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyVHKMJEDFJICXNC-UHFFFAOYSA-N
MW304.16 g/mol
LogP3.20
Rot. Bonds5

About N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide

N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide (PubChem CID 103753613) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
PubChem CID103753613
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC NameN-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H15BrFNO2/c1-8(7-17-2)5-12(16)15-11-6-9(14)3-4-10(11)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)
InChIKeyVHKMJEDFJICXNC-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
N-(2-bromo-5-fluorophenyl)-4-ethoxybutanamide
CID 103753688
2-acetamido-N-(2-bromo-5-fluorophenyl)acetamide
CID 103753391
4-[(2-bromo-5-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107628722
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
N-(2-bromo-5-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 103753599
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
CID 107697356
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
4-hydroxy-3-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 107264668
5-(2-bromo-5-fluoroanilino)-5-oxopentanoic acid
CID 104573927

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide (CID 103753613) is N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide?
The InChIKey is VHKMJEDFJICXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-8(7-17-2)5-12(16)15-11-6-9(14)3-4-10(11)13/h3-4,6,8H,5,7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide?
N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide has a molecular weight of 304.16 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-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 103753613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).