5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide

C16H10BrCl2NO3 — CID 142714159

IUPAC5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H10BrCl2NO3/c17-10-3-5-14(21)11(8-10)16(23)20-15(22)6-2-9-1-4-12(18)13(19)7-9/h1-8,21H,(H,20,22,23)
InChIKeyHGXCHQIKZOFAFF-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.43
Rot. Bonds3

About 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide

5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 142714159) has the molecular formula C16H10BrCl2NO3 and a molecular weight of 415.07 g/mol. Its IUPAC name is 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID142714159
Molecular FormulaC16H10BrCl2NO3
Molecular Weight415.07 g/mol
Exact Mass412.92
IUPAC Name5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(C=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H10BrCl2NO3/c17-10-3-5-14(21)11(8-10)16(23)20-15(22)6-2-9-1-4-12(18)13(19)7-9/h1-8,21H,(H,20,22,23)
InChIKeyHGXCHQIKZOFAFF-UHFFFAOYSA-N
XLogP4.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556430
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107729693
N-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
CID 71556433
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
1-(5-bromo-2-hydroxyphenyl)-3-(3-chlorophenyl)prop-2-en-1-one
CID 67174273
(E)-3-(3,4-dichlorophenyl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43417822
(1E,6E)-1-(3,4-dichlorophenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552527
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 896104
(E)-N-benzyl-3-(3,4-dichlorophenyl)prop-2-enamide
CID 898158
3-(3,4-dichlorophenyl)-N-[[3-[[3-(3,4-dichlorophenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 3261410
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide (CID 142714159) is 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is O=C(C=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is HGXCHQIKZOFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO3/c17-10-3-5-14(21)11(8-10)16(23)20-15(22)6-2-9-1-4-12(18)13(19)7-9/h1-8,21H,(H,20,22,23).
What are the key properties of 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide?
5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 415.07 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 142714159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).