5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

C19H15BrClNO2S — CID 121134203

IUPAC5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H15BrClNO2S/c20-13-6-8-16(21)15(10-13)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24)
InChIKeyWTHRXSGLJCQUKH-UHFFFAOYSA-N
MW436.76 g/mol
LogP5.18
Rot. Bonds5

About 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 121134203) has the molecular formula C19H15BrClNO2S and a molecular weight of 436.76 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID121134203
Molecular FormulaC19H15BrClNO2S
Molecular Weight436.76 g/mol
Exact Mass434.97
IUPAC Name5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1cc(Br)ccc1Cl
InChIInChI=1S/C19H15BrClNO2S/c20-13-6-8-16(21)15(10-13)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24)
InChIKeyWTHRXSGLJCQUKH-UHFFFAOYSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.76
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
1-(2-chlorophenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134396
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 99981817
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
2,4-dichloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 90583522
N'-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-N-prop-2-enyloxamide
CID 121134301

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (CID 121134203) is 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2ccccc2)s1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is WTHRXSGLJCQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2S/c20-13-6-8-16(21)15(10-13)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24).
What are the key properties of 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 436.76 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 121134203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).