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

C20H17ClFN3O3S — CID 55888660

IUPAC4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C20H17ClFN3O3S/c1-11-23-14(10-29-11)9-19(26)24-13-4-6-18(28-2)17(8-13)25-20(27)15-5-3-12(21)7-16(15)22/h3-8,10H,9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGTDWRTKQQFZLCX-UHFFFAOYSA-N
MW433.89 g/mol
LogP4.69
Rot. Bonds6

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

4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide (PubChem CID 55888660) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
PubChem CID55888660
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC Name4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)Cc2csc(C)n2)cc1NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C20H17ClFN3O3S/c1-11-23-14(10-29-11)9-19(26)24-13-4-6-18(28-2)17(8-13)25-20(27)15-5-3-12(21)7-16(15)22/h3-8,10H,9H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGTDWRTKQQFZLCX-UHFFFAOYSA-N
XLogP4.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-fluoro-N-[5-(hexanoylamino)-2-methoxyphenyl]benzamide
CID 55890582
N-[5-[(2-benzamidoacetyl)amino]-2-methoxyphenyl]-4-chloro-2-fluorobenzamide
CID 55945079
4-chloro-N-[5-[[2-(3,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-2-fluorobenzamide
CID 55890330
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764
4-chloro-N-[5-(3-cyclopentylpropanoylamino)-2-methoxyphenyl]-2-fluorobenzamide
CID 55890068
4-chloro-2-fluoro-N-[2-methoxy-5-[3-(2-methylpropoxy)propanoylamino]phenyl]benzamide
CID 55889049
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-3-fluoro-4-methylbenzamide
CID 52701788
4-chloro-2-fluoro-N-[2-methoxy-5-(4-phenoxybutanoylamino)phenyl]benzamide
CID 55890069
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-[3-[(4-chloro-2-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 47063466
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]benzamide
CID 55945590
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide (CID 55888660) is 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide is COc1ccc(NC(=O)Cc2csc(C)n2)cc1NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is GTDWRTKQQFZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c1-11-23-14(10-29-11)9-19(26)24-13-4-6-18(28-2)17(8-13)25-20(27)15-5-3-12(21)7-16(15)22/h3-8,10H,9H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide?
4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 433.89 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-methoxy-5-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 55888660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).