N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide

C27H24ClFN2O3S — CID 46006494

IUPACN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)c1ccccc1F
InChIInChI=1S/C27H24ClFN2O3S/c1-18(19-7-3-2-4-8-19)31(27(33)23-9-5-6-10-24(23)29)14-20-13-21(28)11-12-25(20)34-16-26-30-22(15-32)17-35-26/h2-13,17-18,32H,14-16H2,1H3
InChIKeyGAEDYOCXQPFXBU-UHFFFAOYSA-N
MW511.02 g/mol
LogP6.41
Rot. Bonds9

About N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide

N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide (PubChem CID 46006494) has the molecular formula C27H24ClFN2O3S and a molecular weight of 511.02 g/mol. Its IUPAC name is N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide
PubChem CID46006494
Molecular FormulaC27H24ClFN2O3S
Molecular Weight511.02 g/mol
Exact Mass510.12
IUPAC NameN-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide
SMILESCC(c1ccccc1)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)c1ccccc1F
InChIInChI=1S/C27H24ClFN2O3S/c1-18(19-7-3-2-4-8-19)31(27(33)23-9-5-6-10-24(23)29)14-20-13-21(28)11-12-25(20)34-16-26-30-22(15-32)17-35-26/h2-13,17-18,32H,14-16H2,1H3
InChIKeyGAEDYOCXQPFXBU-UHFFFAOYSA-N
XLogP6.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.02
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 93160300
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42836750
N-butan-2-yl-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methylbenzamide
CID 46006483
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93160304
3-bromo-N-[(2S)-butan-2-yl]-N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
CID 93160283
2-fluoro-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008543
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 42836776
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 46013197
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377
2-fluoro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 42682438
N-[(2R)-butan-2-yl]-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluorobenzamide
CID 93165343
N-butan-2-yl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluorobenzamide
CID 46008958

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide?
The IUPAC name of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide (CID 46006494) is N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide?
The canonical SMILES for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide is CC(c1ccccc1)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)c1ccccc1F.
What is the InChIKey of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide?
The InChIKey is GAEDYOCXQPFXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClFN2O3S/c1-18(19-7-3-2-4-8-19)31(27(33)23-9-5-6-10-24(23)29)14-20-13-21(28)11-12-25(20)34-16-26-30-22(15-32)17-35-26/h2-13,17-18,32H,14-16H2,1H3.
What are the key properties of N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide?
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide has a molecular weight of 511.02 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46006494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).