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

C15H14Br2N2O — CID 81376479

IUPAC2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1N)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyKIKHLOXCRNHGRP-VIFPVBQESA-N
MW398.10 g/mol
LogP4.28
Rot. Bonds3

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

2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide (PubChem CID 81376479) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
PubChem CID81376479
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1N)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1
InChIKeyKIKHLOXCRNHGRP-VIFPVBQESA-N
XLogP4.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.28
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-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
2-amino-4-bromo-N-[1-(2,6-difluorophenyl)ethyl]benzamide
CID 79704733
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296176
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide (CID 81376479) is 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(Br)cc1N)c1cccc(Br)c1.
What is the InChIKey of 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
The InChIKey is KIKHLOXCRNHGRP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-9(10-3-2-4-11(16)7-10)19-15(20)13-6-5-12(17)8-14(13)18/h2-9H,18H2,1H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide?
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide has a molecular weight of 398.10 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 81376479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).