N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide

C15H15ClFN3O2S — CID 154797463

IUPACN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1F
InChIInChI=1S/C15H15ClFN3O2S/c1-8(2)5-13(21)19-11-4-3-9(6-10(11)17)14(22)20-15-18-7-12(16)23-15/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyBHILUWZCFRQYNG-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.17
Rot. Bonds5

About N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide

N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide (PubChem CID 154797463) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
PubChem CID154797463
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1F
InChIInChI=1S/C15H15ClFN3O2S/c1-8(2)5-13(21)19-11-4-3-9(6-10(11)17)14(22)20-15-18-7-12(16)23-15/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyBHILUWZCFRQYNG-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
(2S)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 99776333
N-[(2S)-1-aminopropan-2-yl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 120506377
N'-(5-chloro-1,3-thiazol-2-yl)-N-[4-fluoro-2-(2-methylpropoxy)phenyl]propanediamide
CID 87230927
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119605802
(2R)-2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]-2-phenylacetic acid
CID 119367801
3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863879
3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]thiolane-3-carboxylic acid
CID 120531535
3-ethyl-3-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]pentanoic acid
CID 120532640
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
2-[2-[[3-fluoro-4-(3-methylbutanoylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 120526677
3-fluoro-4-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbenzamide
CID 119449903

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide (CID 154797463) is N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(Cl)s2)cc1F.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
The InChIKey is BHILUWZCFRQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c1-8(2)5-13(21)19-11-4-3-9(6-10(11)17)14(22)20-15-18-7-12(16)23-15/h3-4,6-8H,5H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide?
N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide has a molecular weight of 355.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 154797463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).