2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide

C16H14Br2FNO — CID 60666299

IUPAC2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-8-7-12(19)9-14(13)18/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyAIWRBSYRXNXRCD-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.23
Rot. Bonds4

About 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide

2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide (PubChem CID 60666299) has the molecular formula C16H14Br2FNO and a molecular weight of 415.10 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
PubChem CID60666299
Molecular FormulaC16H14Br2FNO
Molecular Weight415.10 g/mol
Exact Mass412.94
IUPAC Name2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide
SMILESCCC(NC(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-8-7-12(19)9-14(13)18/h3-9,15H,2H2,1H3,(H,20,21)
InChIKeyAIWRBSYRXNXRCD-UHFFFAOYSA-N
XLogP5.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
2-bromo-N-[1-(4-ethylphenyl)-2-methylpropyl]-4-fluorobenzamide
CID 16563664
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
methyl (2S,3S)-2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 122158474
2-bromo-N-[1-(3,4-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60666298
2-[(2-bromo-4-fluorobenzoyl)amino]pentanoic acid
CID 43630288
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-bromophenyl)propyl]-2-(2,4-difluorophenoxy)acetamide
CID 46448423
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide (CID 60666299) is 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide is CCC(NC(=O)c1ccc(F)cc1Br)c1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide?
The InChIKey is AIWRBSYRXNXRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO/c1-2-15(10-3-5-11(17)6-4-10)20-16(21)13-8-7-12(19)9-14(13)18/h3-9,15H,2H2,1H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide?
2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide has a molecular weight of 415.10 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-bromophenyl)propyl]-4-fluorobenzamide is sourced from PubChem (CID 60666299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).