N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide

C15H12BrClN2O2 — CID 55834573

IUPACN-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)13-6-5-10(16)7-14(13)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZVXMPXWMDQGHAY-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.31
Rot. Bonds3

About N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide

N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide (PubChem CID 55834573) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
PubChem CID55834573
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H12BrClN2O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)13-6-5-10(16)7-14(13)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZVXMPXWMDQGHAY-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

4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
4-bromo-2-chloro-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 55832366
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
5-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 43805393
N-(3-acetamidophenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228962

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide (CID 55834573) is N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide?
The InChIKey is ZVXMPXWMDQGHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-9(20)18-11-3-2-4-12(8-11)19-15(21)13-6-5-10(16)7-14(13)17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide?
N-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide 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-(3-acetamidophenyl)-4-bromo-2-chlorobenzamide is sourced from PubChem (CID 55834573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).