2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide

C11H13BrFNO2 — CID 114327553

IUPAC2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,12)10(15)14-7-4-5-9(16-3)8(13)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeySTPCWDNRCMZYDK-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide

2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide (PubChem CID 114327553) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
PubChem CID114327553
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccc(NC(=O)C(C)(C)Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,12)10(15)14-7-4-5-9(16-3)8(13)6-7/h4-6H,1-3H3,(H,14,15)
InChIKeySTPCWDNRCMZYDK-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
2-bromo-N-(3-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 114328999
1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754626
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
N-(3-fluoro-4-methoxyphenyl)-3,5-dihydroxybenzamide
CID 103892052
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
N-(3-bromo-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 103430147
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
N-(3,4-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438888
2-cyclopropyl-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]propanoic acid
CID 61199203

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide (CID 114327553) is 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide is COc1ccc(NC(=O)C(C)(C)Br)cc1F.
What is the InChIKey of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide?
The InChIKey is STPCWDNRCMZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,12)10(15)14-7-4-5-9(16-3)8(13)6-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide?
2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide has a molecular weight of 290.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 114327553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).