4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide

C17H15Br2FN2O2 — CID 60622543

IUPAC4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
SMILESO=C(NCCCNC(=O)c1ccc(Br)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H15Br2FN2O2/c18-13-4-1-3-11(9-13)16(23)21-7-2-8-22-17(24)12-5-6-14(19)15(20)10-12/h1,3-6,9-10H,2,7-8H2,(H,21,23)(H,22,24)
InChIKeyOAWKEMPAYRZWMY-UHFFFAOYSA-N
MW458.13 g/mol
LogP3.90
Rot. Bonds6

About 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide

4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide (PubChem CID 60622543) has the molecular formula C17H15Br2FN2O2 and a molecular weight of 458.13 g/mol. Its IUPAC name is 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
PubChem CID60622543
Molecular FormulaC17H15Br2FN2O2
Molecular Weight458.13 g/mol
Exact Mass455.95
IUPAC Name4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide
SMILESO=C(NCCCNC(=O)c1ccc(Br)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H15Br2FN2O2/c18-13-4-1-3-11(9-13)16(23)21-7-2-8-22-17(24)12-5-6-14(19)15(20)10-12/h1,3-6,9-10H,2,7-8H2,(H,21,23)(H,22,24)
InChIKeyOAWKEMPAYRZWMY-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.13
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide (CID 60622543) is 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide is O=C(NCCCNC(=O)c1ccc(Br)c(F)c1)c1cccc(Br)c1.
What is the InChIKey of 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide?
The InChIKey is OAWKEMPAYRZWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2FN2O2/c18-13-4-1-3-11(9-13)16(23)21-7-2-8-22-17(24)12-5-6-14(19)15(20)10-12/h1,3-6,9-10H,2,7-8H2,(H,21,23)(H,22,24).
What are the key properties of 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide?
4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide has a molecular weight of 458.13 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(3-bromobenzoyl)amino]propyl]-3-fluorobenzamide is sourced from PubChem (CID 60622543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).