2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

C19H15ClFNO2S — CID 73167904

IUPAC2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFNO2S/c20-16-10-13(21)6-8-15(16)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)
InChIKeyZMNIEJIKOPHFCV-UHFFFAOYSA-N
MW375.85 g/mol
LogP4.55
Rot. Bonds5

About 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 73167904) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID73167904
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC Name2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H15ClFNO2S/c20-16-10-13(21)6-8-15(16)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)
InChIKeyZMNIEJIKOPHFCV-UHFFFAOYSA-N
XLogP4.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[({[2,5-Dichloro-4-(3-chlorobenzyl)-3-thienyl]carbonyl}amino)methyl]benzoic acid
CID 24953285
4-{(1S)-1-[({2,5-dichloro-4-[(3-chlorophenyl)(hydroxy)methyl]-3-thienyl}carbonyl)amino]ethyl}benzoic acid
CID 24952925
2-Chloro-4-[[[4-[(3-chlorophenyl)methyl]-2,5-dimethylthiophene-3-carbonyl]amino]methyl]benzoic acid
CID 24953626
5-(4-chlorophenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 2812770
2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
5-chloro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}thiophene-2-carboxamide
CID 56765438
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
2-Chloro-6-fluoro-N-[3-hydroxy-3-(thiophen-2-YL)propyl]benzamide
CID 71787817
2-Chloro-4-fluoro-N-{2-hydroxy-2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
CID 71803803
2-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167895
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-chloro-6-fluorobenzamide
CID 86263956
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-chloro-6-fluorobenzamide
CID 91630833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (CID 73167904) is 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc(C(O)c2ccccc2)s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is ZMNIEJIKOPHFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c20-16-10-13(21)6-8-15(16)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 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 375.85 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 73167904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).