2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide

C15H14BrClN2O — CID 107868800

IUPAC2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1N)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-5-7-11(16)8-6-10)19-15(20)12-3-2-4-13(17)14(12)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJKQJBJIYBWFOSZ-SECBINFHSA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

About 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide

2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide (PubChem CID 107868800) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
PubChem CID107868800
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1N)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-5-7-11(16)8-6-10)19-15(20)12-3-2-4-13(17)14(12)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJKQJBJIYBWFOSZ-SECBINFHSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 115540145
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
CID 107869053
2-amino-3-chloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 115540519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide (CID 107868800) is 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide is C[C@@H](NC(=O)c1cccc(Cl)c1N)c1ccc(Br)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide?
The InChIKey is JKQJBJIYBWFOSZ-SECBINFHSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(10-5-7-11(16)8-6-10)19-15(20)12-3-2-4-13(17)14(12)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide?
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide is sourced from PubChem (CID 107868800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).