3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide

C15H13BrClNO — CID 59803164

IUPAC3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyLBIWUCOXZXNQIS-SNVBAGLBSA-N
MW338.63 g/mol
LogP4.59
Rot. Bonds3

About 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide

3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 59803164) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
PubChem CID59803164
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyLBIWUCOXZXNQIS-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

N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
CID 721213
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
3-bromo-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103842939
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide (CID 59803164) is 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is LBIWUCOXZXNQIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide?
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]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-4-chloro-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 59803164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).