4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide

C16H14Br2FNO — CID 63524757

IUPAC4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,1-2H3,(H,20,21)
InChIKeyNHFQCNGMBXZGDI-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.02
Rot. Bonds3

About 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide

4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide (PubChem CID 63524757) has the molecular formula C16H14Br2FNO and a molecular weight of 415.10 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
PubChem CID63524757
Molecular FormulaC16H14Br2FNO
Molecular Weight415.10 g/mol
Exact Mass412.94
IUPAC Name4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1F)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,1-2H3,(H,20,21)
InChIKeyNHFQCNGMBXZGDI-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115645898
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
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2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
CID 62056776
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060193
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
4-bromo-N-(3-carbamothioylpentan-3-yl)-2-fluorobenzamide
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4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
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CID 78965747
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
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CID 103515044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide (CID 63524757) is 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide is CC(C)(NC(=O)c1ccc(Br)cc1F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
The InChIKey is NHFQCNGMBXZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO/c1-16(2,10-3-5-11(17)6-4-10)20-15(21)13-8-7-12(18)9-14(13)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide?
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide has a molecular weight of 415.10 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 63524757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).