N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide

C17H17BrClNO — CID 53268072

IUPACN-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-17(2,3)11-8-9-15(13(18)10-11)20-16(21)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,20,21)
InChIKeyGVKWNIQCALRISA-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.65
Rot. Bonds2

About N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide

N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide (PubChem CID 53268072) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
PubChem CID53268072
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC NameN-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccccc2Cl)c(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-17(2,3)11-8-9-15(13(18)10-11)20-16(21)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,20,21)
InChIKeyGVKWNIQCALRISA-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
CID 53267962
N-(2-bromo-4-chlorophenyl)-2,3-dichlorobenzamide
CID 81028936
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
CID 81004240
3-bromo-4-[(5-tert-butyl-2-hydroxybenzoyl)amino]benzoic acid
CID 86272699
2-amino-N-(2-bromo-4-chlorophenyl)benzamide
CID 81262559
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
N-(2-bromo-4-tert-butylphenyl)-2-(2-bromophenoxy)acetamide
CID 53268539
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chlorobenzamide
CID 30208430
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide?
The IUPAC name of N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide (CID 53268072) is N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide is CC(C)(C)c1ccc(NC(=O)c2ccccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide?
The InChIKey is GVKWNIQCALRISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-17(2,3)11-8-9-15(13(18)10-11)20-16(21)12-6-4-5-7-14(12)19/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide?
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide has a molecular weight of 366.69 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 53268072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).