N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide

C15H13BrClNO — CID 42998565

IUPACN-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C15H13BrClNO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)
InChIKeyKGBNQYHJRISXFX-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.59
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide

N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide (PubChem CID 42998565) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
PubChem CID42998565
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
SMILESCC(NC(=O)c1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C15H13BrClNO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19)
InChIKeyKGBNQYHJRISXFX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
CID 60706338
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 51530681
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide (CID 42998565) is N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide is CC(NC(=O)c1ccccc1Cl)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide?
The InChIKey is KGBNQYHJRISXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10(11-6-2-4-8-13(11)16)18-15(19)12-7-3-5-9-14(12)17/h2-10H,1H3,(H,18,19).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide?
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 42998565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).