3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide

C18H19Br2NO2 — CID 26019445

IUPAC3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1
InChIInChI=1S/C18H19Br2NO2/c1-4-11(2)12-5-7-14(8-6-12)21-18(22)15-9-13(19)10-16(20)17(15)23-3/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyTYVJNTXKTAFYKP-LLVKDONJSA-N
MW441.16 g/mol
LogP5.99
Rot. Bonds5

About 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide

3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide (PubChem CID 26019445) has the molecular formula C18H19Br2NO2 and a molecular weight of 441.16 g/mol. Its IUPAC name is 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
PubChem CID26019445
Molecular FormulaC18H19Br2NO2
Molecular Weight441.16 g/mol
Exact Mass438.98
IUPAC Name3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide
SMILESCC[C@@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1
InChIInChI=1S/C18H19Br2NO2/c1-4-11(2)12-5-7-14(8-6-12)21-18(22)15-9-13(19)10-16(20)17(15)23-3/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m1/s1
InChIKeyTYVJNTXKTAFYKP-LLVKDONJSA-N
XLogP5.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.16
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
propan-2-yl 4-[(3,5-dibromo-2-methoxybenzoyl)amino]benzoate
CID 17050274
3,5-dibromo-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-2-methoxybenzamide
CID 17113668
3,5-dibromo-N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 26019751
3,5-dibromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 4631567
3,5-dibromo-N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 21216580
N-[4-[(2S)-butan-2-yl]phenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 40950429
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7935730
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
3,5-dibromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 17111500
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide (CID 26019445) is 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide is CC[C@@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1.
What is the InChIKey of 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide?
The InChIKey is TYVJNTXKTAFYKP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19Br2NO2/c1-4-11(2)12-5-7-14(8-6-12)21-18(22)15-9-13(19)10-16(20)17(15)23-3/h5-11H,4H2,1-3H3,(H,21,22)/t11-/m1/s1.
What are the key properties of 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide?
3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide has a molecular weight of 441.16 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[4-[(2R)-butan-2-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 26019445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).