N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide

C18H20BrNO3 — CID 40625135

IUPACN-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyVUCMHWRTPNMBTB-GFCCVEGCSA-N
MW378.27 g/mol
LogP4.89
Rot. Bonds6

About N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide

N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide (PubChem CID 40625135) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
PubChem CID40625135
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H20BrNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyVUCMHWRTPNMBTB-GFCCVEGCSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
3-bromo-N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 17160721
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-(5-amino-2-methoxyphenyl)-4-butan-2-yloxybenzamide
CID 46735867
4-butan-2-yloxy-N-[(2,5-dimethoxyphenyl)carbamothioyl]benzamide
CID 17141512
N-[(4-butan-2-yloxyphenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 17160769
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-(aminomethyl)-N-(4-butan-2-yloxyphenyl)benzamide;hydrochloride
CID 119298184
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide (CID 40625135) is N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide?
The InChIKey is VUCMHWRTPNMBTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-12(2)23-15-8-5-13(6-9-15)18(21)20-14-7-10-17(22-3)16(19)11-14/h5-12H,4H2,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide?
N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide has a molecular weight of 378.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-4-[(2R)-butan-2-yl]oxybenzamide is sourced from PubChem (CID 40625135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).