N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide

C15H12BrCl2NO — CID 28558105

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyRXZDFQDYKKDGLR-SECBINFHSA-N
MW373.08 g/mol
LogP5.25
Rot. Bonds3

About N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide

N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide (PubChem CID 28558105) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
PubChem CID28558105
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C15H12BrCl2NO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyRXZDFQDYKKDGLR-SECBINFHSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
N-[1-(3-bromophenyl)ethyl]-3-fluoropyridine-4-carboxamide
CID 64949894
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide (CID 28558105) is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide is C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide?
The InChIKey is RXZDFQDYKKDGLR-SECBINFHSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide?
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide has a molecular weight of 373.08 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 28558105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).