N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide

C15H13BrClNO — CID 7733481

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYSPDGKBRUMBQIN-JTQLQIEISA-N
MW338.63 g/mol
LogP4.59
Rot. Bonds3

About N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide

N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide (PubChem CID 7733481) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
PubChem CID7733481
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYSPDGKBRUMBQIN-JTQLQIEISA-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

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide (CID 7733481) is N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide is C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
The InChIKey is YSPDGKBRUMBQIN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10(11-2-6-13(16)7-3-11)18-15(19)12-4-8-14(17)9-5-12/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-4-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-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 7733481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).