N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide

C15H12BrClN2O2 — CID 51321405

IUPACN-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)18-14-6-5-12(8-13(14)17)19-15(21)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyBBNQGTYQVBKXIL-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.31
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide

N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide (PubChem CID 51321405) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
PubChem CID51321405
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)18-14-6-5-12(8-13(14)17)19-15(21)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyBBNQGTYQVBKXIL-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(3-acetamido-4-methoxyphenyl)-3-bromobenzamide
CID 35346015
3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-(4-acetamido-3-chlorophenyl)-3,4-difluorobenzamide
CID 41305249
N-(4-acetamido-3-chlorophenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 25471428
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide (CID 51321405) is N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide is CC(=O)Nc1ccc(NC(=O)c2cccc(Br)c2)cc1Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide?
The InChIKey is BBNQGTYQVBKXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(20)18-14-6-5-12(8-13(14)17)19-15(21)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide?
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide has a molecular weight of 367.63 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide is sourced from PubChem (CID 51321405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).