4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide

C15H14BrClN2O — CID 81379045

IUPAC4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Br)c1)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15(20)10-6-7-14(18)12(16)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyADBZEAWJLQOEKV-VIFPVBQESA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

About 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide

4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide (PubChem CID 81379045) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
PubChem CID81379045
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(Br)c1)c1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15(20)10-6-7-14(18)12(16)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyADBZEAWJLQOEKV-VIFPVBQESA-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

4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-amino-3-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360914
4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 81409737
5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide (CID 81379045) is 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(N)c(Br)c1)c1ccccc1Cl.
What is the InChIKey of 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
The InChIKey is ADBZEAWJLQOEKV-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(11-4-2-3-5-13(11)17)19-15(20)10-6-7-14(18)12(16)8-10/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide?
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide 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 4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 81379045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).