5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide

C15H14BrClN2O — CID 107869053

IUPAC5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
SMILESC[C@H](NC(=O)c1cc(N)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(18)6-7-14(13)17/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyCNJOMUJJOAEIDR-VIFPVBQESA-N
MW353.65 g/mol
LogP4.18
Rot. Bonds3

About 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide

5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide (PubChem CID 107869053) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
PubChem CID107869053
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide
SMILESC[C@H](NC(=O)c1cc(N)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(18)6-7-14(13)17/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyCNJOMUJJOAEIDR-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

5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
N-[1-(4-aminophenyl)ethyl]-4-bromo-2-chlorobenzamide
CID 43805366
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxybenzamide
CID 107869019
5-amino-2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 115297266
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide?
The IUPAC name of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide (CID 107869053) is 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide.
What is the SMILES notation for 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide?
The canonical SMILES for 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide is C[C@H](NC(=O)c1cc(N)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide?
The InChIKey is CNJOMUJJOAEIDR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9(10-2-4-11(16)5-3-10)19-15(20)13-8-12(18)6-7-14(13)17/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide?
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-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 5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 107869053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).