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

C19H18ClF3N2O2 — CID 2210858

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-2-3-4-17(26)24-14-8-5-12(6-9-14)18(27)25-16-11-13(19(21,22)23)7-10-15(16)20/h5-11H,2-4H2,1H3,(H,24,26)(H,25,27)
InChIKeyHHIKPJAUXZSOOO-UHFFFAOYSA-N
MW398.81 g/mol
LogP5.74
Rot. Bonds6

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide (PubChem CID 2210858) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide
PubChem CID2210858
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C19H18ClF3N2O2/c1-2-3-4-17(26)24-14-8-5-12(6-9-14)18(27)25-16-11-13(19(21,22)23)7-10-15(16)20/h5-11H,2-4H2,1H3,(H,24,26)(H,25,27)
InChIKeyHHIKPJAUXZSOOO-UHFFFAOYSA-N
XLogP5.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.81
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide (CID 2210858) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide?
The InChIKey is HHIKPJAUXZSOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-2-3-4-17(26)24-14-8-5-12(6-9-14)18(27)25-16-11-13(19(21,22)23)7-10-15(16)20/h5-11H,2-4H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide has a molecular weight of 398.81 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 2210858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).