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

C16H14Br2FNO — CID 107951863

IUPAC3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-16(2,11-4-6-12(17)7-5-11)20-15(21)10-3-8-14(19)13(18)9-10/h3-9H,1-2H3,(H,20,21)
InChIKeyQXMMFWNVPGDLFV-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.02
Rot. Bonds3

About 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide

3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide (PubChem CID 107951863) has the molecular formula C16H14Br2FNO and a molecular weight of 415.10 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
PubChem CID107951863
Molecular FormulaC16H14Br2FNO
Molecular Weight415.10 g/mol
Exact Mass412.94
IUPAC Name3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
SMILESCC(C)(NC(=O)c1ccc(F)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14Br2FNO/c1-16(2,11-4-6-12(17)7-5-11)20-15(21)10-3-8-14(19)13(18)9-10/h3-9H,1-2H3,(H,20,21)
InChIKeyQXMMFWNVPGDLFV-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-(2-phenylpropan-2-yl)benzamide
CID 47444769
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
CID 43696309
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-[2-(4-bromophenyl)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115645898
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobenzamide
CID 62056776
3-bromo-N-(2,4-dibromophenyl)-4-fluorobenzamide
CID 107951894
3-bromo-4-fluorobenzoyl bromide
CID 3018761
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide (CID 107951863) is 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide is CC(C)(NC(=O)c1ccc(F)c(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide?
The InChIKey is QXMMFWNVPGDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO/c1-16(2,11-4-6-12(17)7-5-11)20-15(21)10-3-8-14(19)13(18)9-10/h3-9H,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide?
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-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 3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 107951863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).