2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide

C11H13BrFNO2 — CID 107905692

IUPAC2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-3-16-10-5-4-8(6-9(10)13)14-11(15)7(2)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNFSORLXRIRRPSH-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.95
Rot. Bonds4

About 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide

2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide (PubChem CID 107905692) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
PubChem CID107905692
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
SMILESCCOc1ccc(NC(=O)C(C)Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-3-16-10-5-4-8(6-9(10)13)14-11(15)7(2)12/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNFSORLXRIRRPSH-UHFFFAOYSA-N
XLogP2.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
3-amino-N-(4-ethoxy-3-fluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 113399765
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
2-[(4-ethoxy-3-fluorophenyl)carbamoylamino]butanoic acid
CID 103996497

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide?
The IUPAC name of 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide (CID 107905692) is 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide?
The canonical SMILES for 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide is CCOc1ccc(NC(=O)C(C)Br)cc1F.
What is the InChIKey of 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide?
The InChIKey is NFSORLXRIRRPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-3-16-10-5-4-8(6-9(10)13)14-11(15)7(2)12/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide?
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide has a molecular weight of 290.13 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide is sourced from PubChem (CID 107905692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).