3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide

C15H13BrClNO — CID 8751551

IUPAC3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyWXOLJRCNVCRZPB-SNVBAGLBSA-N
MW338.63 g/mol
LogP4.59
Rot. Bonds3

About 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide

3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide (PubChem CID 8751551) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
PubChem CID8751551
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyWXOLJRCNVCRZPB-SNVBAGLBSA-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

3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779048
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide (CID 8751551) is 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide?
The InChIKey is WXOLJRCNVCRZPB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10(11-5-7-14(17)8-6-11)18-15(19)12-3-2-4-13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide?
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide 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 3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 8751551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).