2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide

C18H15Cl2F3N2O2 — CID 139521347

IUPAC2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
SMILESCCCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H15Cl2F3N2O2/c1-2-3-16(26)24-14-7-5-11(19)9-12(14)17(27)25-15-6-4-10(8-13(15)20)18(21,22)23/h4-9H,2-3H2,1H3,(H,24,26)(H,25,27)
InChIKeyIIHMPHQMMORBCV-UHFFFAOYSA-N
MW419.23 g/mol
LogP6.00
Rot. Bonds5

About 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide

2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 139521347) has the molecular formula C18H15Cl2F3N2O2 and a molecular weight of 419.23 g/mol. Its IUPAC name is 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID139521347
Molecular FormulaC18H15Cl2F3N2O2
Molecular Weight419.23 g/mol
Exact Mass418.05
IUPAC Name2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide
SMILESCCCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H15Cl2F3N2O2/c1-2-3-16(26)24-14-7-5-11(19)9-12(14)17(27)25-15-6-4-10(8-13(15)20)18(21,22)23/h4-9H,2-3H2,1H3,(H,24,26)(H,25,27)
InChIKeyIIHMPHQMMORBCV-UHFFFAOYSA-N
XLogP6.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.23
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxane-4-carboxamide
CID 139512712
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
N-(2-chloro-4-hydroxyphenyl)butanamide
CID 64789093
5-chloro-2-[3-[4-(trifluoromethyl)phenyl]propanoylamino]benzoic acid
CID 141007949
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzamide
CID 150699502
5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(morpholin-4-ylsulfonylamino)benzamide
CID 139521363

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide (CID 139521347) is 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide is CCCC(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IIHMPHQMMORBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O2/c1-2-3-16(26)24-14-7-5-11(19)9-12(14)17(27)25-15-6-4-10(8-13(15)20)18(21,22)23/h4-9H,2-3H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide?
2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 419.23 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-5-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 139521347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).