3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide

C18H20BrNO2 — CID 2669093

IUPAC3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-18(2,3)13-8-9-16(22-4)15(11-13)20-17(21)12-6-5-7-14(19)10-12/h5-11H,1-4H3,(H,20,21)
InChIKeyUVGPWDPMKGMTRJ-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.01
Rot. Bonds3

About 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide

3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide (PubChem CID 2669093) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
PubChem CID2669093
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-18(2,3)13-8-9-16(22-4)15(11-13)20-17(21)12-6-5-7-14(19)10-12/h5-11H,1-4H3,(H,20,21)
InChIKeyUVGPWDPMKGMTRJ-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
tert-butyl N-[5-[(3-bromobenzoyl)amino]-2-methoxyphenyl]carbamate
CID 46461019
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-tert-butyl-2-methoxyphenyl)prop-2-enamide
CID 7935899
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide (CID 2669093) is 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide?
The InChIKey is UVGPWDPMKGMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-18(2,3)13-8-9-16(22-4)15(11-13)20-17(21)12-6-5-7-14(19)10-12/h5-11H,1-4H3,(H,20,21).
What are the key properties of 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide?
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide has a molecular weight of 362.27 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide is sourced from PubChem (CID 2669093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).