4-bromo-2,5-difluoro-N-propylbenzamide

C10H10BrF2NO — CID 146035179

IUPAC4-bromo-2,5-difluoro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(F)c(Br)cc1F
InChIInChI=1S/C10H10BrF2NO/c1-2-3-14-10(15)6-4-9(13)7(11)5-8(6)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyRXJNLQVPRPLCQD-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.87
Rot. Bonds3

About 4-bromo-2,5-difluoro-N-propylbenzamide

4-bromo-2,5-difluoro-N-propylbenzamide (PubChem CID 146035179) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-propylbenzamide
PubChem CID146035179
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name4-bromo-2,5-difluoro-N-propylbenzamide
SMILESCCCNC(=O)c1cc(F)c(Br)cc1F
InChIInChI=1S/C10H10BrF2NO/c1-2-3-14-10(15)6-4-9(13)7(11)5-8(6)12/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyRXJNLQVPRPLCQD-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-bromo-2,5-difluoro-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
1-(4-bromo-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84807262
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
5-bromo-3-fluoro-N-propylpyridine-2-carboxamide
CID 146027056
butyl 4-bromo-2,5-difluorobenzoate
CID 122492593
4-bromo-2,5-difluorobenzamide
CID 53418047
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-propylbenzamide?
The IUPAC name of 4-bromo-2,5-difluoro-N-propylbenzamide (CID 146035179) is 4-bromo-2,5-difluoro-N-propylbenzamide.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-propylbenzamide?
The canonical SMILES for 4-bromo-2,5-difluoro-N-propylbenzamide is CCCNC(=O)c1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluoro-N-propylbenzamide?
The InChIKey is RXJNLQVPRPLCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-2-3-14-10(15)6-4-9(13)7(11)5-8(6)12/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-bromo-2,5-difluoro-N-propylbenzamide?
4-bromo-2,5-difluoro-N-propylbenzamide has a molecular weight of 278.10 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N-propylbenzamide is sourced from PubChem (CID 146035179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).