3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

C17H16BrClN2O2 — CID 122195645

IUPAC3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
InChIInChI=1S/C17H16BrClN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyVWKUWZVFYKVZAP-NSHDSACASA-N
MW395.68 g/mol
LogP3.71
Rot. Bonds5

About 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 122195645) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID122195645
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1
InChIInChI=1S/C17H16BrClN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyVWKUWZVFYKVZAP-NSHDSACASA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Jnj-63533054
CID 2548547
Dipeptidyl nitrile inhibitor, 1
CID 44224113
Dipeptidyl nitrile inhibitor, 7
CID 44224117
Dipeptidyl nitrile inhibitor, 8
CID 44224118
Dipeptidyl nitrile inhibitor, 9
CID 44224119
Dipeptidyl nitrile inhibitor, 10
CID 44224120
Dipeptidyl nitrile inhibitor, 12
CID 44224122
Dipeptidyl nitrile inhibitor, 13
CID 44224123
3-chloro-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 4879329
3-bromo-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11631953
N-[1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 57889592
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 118246709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 122195645) is 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is VWKUWZVFYKVZAP-NSHDSACASA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-11(12-5-3-2-4-6-12)21-16(22)10-20-17(23)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 395.68 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 122195645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).