4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C17H14BrFN2O2 — CID 26706798

IUPAC4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H14BrFN2O2/c1-2-9-20-16(22)13-5-3-4-6-15(13)21-17(23)12-8-7-11(18)10-14(12)19/h2-8,10H,1,9H2,(H,20,22)(H,21,23)
InChIKeyLRNKPRAWTMFREN-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.76
Rot. Bonds5

About 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 26706798) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID26706798
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC Name4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C17H14BrFN2O2/c1-2-9-20-16(22)13-5-3-4-6-15(13)21-17(23)12-8-7-11(18)10-14(12)19/h2-8,10H,1,9H2,(H,20,22)(H,21,23)
InChIKeyLRNKPRAWTMFREN-UHFFFAOYSA-N
XLogP3.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
2-[[2-(4-bromophenyl)acetyl]amino]-N-prop-2-enylbenzamide
CID 26706664
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
2-bromo-5-methoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706709
2-oxo-6-phenyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-pyridine-3-carboxamide
CID 75493420
4-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 34746636
2,3-dichloro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 24529652
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 26706798) is 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is LRNKPRAWTMFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c1-2-9-20-16(22)13-5-3-4-6-15(13)21-17(23)12-8-7-11(18)10-14(12)19/h2-8,10H,1,9H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 377.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26706798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).