2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide

C16H14BrClN2O3 — CID 40771324

IUPAC2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14BrClN2O3/c1-9(23-14-7-6-10(18)8-12(14)17)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyVOYJVPTYNMLEMY-SECBINFHSA-N
MW397.66 g/mol
LogP3.61
Rot. Bonds5

About 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide

2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide (PubChem CID 40771324) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
PubChem CID40771324
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C16H14BrClN2O3/c1-9(23-14-7-6-10(18)8-12(14)17)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1
InChIKeyVOYJVPTYNMLEMY-SECBINFHSA-N
XLogP3.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-methoxypropyl)benzamide
CID 17148367
(2R)-2-(2-bromo-4-chlorophenoxy)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 7547628
methyl 2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoate
CID 2807434
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
5-chloro-2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]oxybenzamide
CID 38262201
(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide?
The IUPAC name of 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide (CID 40771324) is 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide is C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide?
The InChIKey is VOYJVPTYNMLEMY-SECBINFHSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-9(23-14-7-6-10(18)8-12(14)17)16(22)20-13-5-3-2-4-11(13)15(19)21/h2-9H,1H3,(H2,19,21)(H,20,22)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide?
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide has a molecular weight of 397.66 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 40771324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).